USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 457 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 10 GLN : amide:sc= -0.0258 K(o=1.3,f=0.12) USER MOD Set 2.2: A 14 THR OG1 : rot 100:sc= 1.29 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -174:sc= -0.479 (180deg=-0.601) USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= 1.2 (180deg=0.69) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.0478 X(o=-0.048,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 24 MET CE :methyl -166:sc= -0.53 (180deg=-1.18) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0324 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS :FLIP no HE2:sc= -1.47 F(o=-2.4,f=-1.5) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0715 USER MOD Single : A 58 TYR OH : rot 180:sc=-0.00926 USER MOD Single : A 60 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.24) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.612 2.570 -2.850 1.00 74.41 N ATOM 2 CA GLY A 1 27.818 1.594 -2.102 1.00 72.20 C ATOM 3 C GLY A 1 27.871 0.267 -2.826 1.00 41.34 C ATOM 4 O GLY A 1 28.962 -0.277 -2.984 1.00 73.24 O ATOM 0 H1 GLY A 1 28.584 3.488 -2.362 1.00 74.41 H new ATOM 0 H2 GLY A 1 29.597 2.242 -2.913 1.00 74.41 H new ATOM 0 H3 GLY A 1 28.221 2.675 -3.808 1.00 74.41 H new ATOM 0 HA2 GLY A 1 28.207 1.487 -1.089 1.00 72.20 H new ATOM 0 HA3 GLY A 1 26.786 1.935 -2.013 1.00 72.20 H new ATOM 8 N ASP A 2 26.719 -0.204 -3.309 1.00 33.45 N ATOM 9 CA ASP A 2 26.526 -1.400 -4.132 1.00 62.14 C ATOM 10 C ASP A 2 27.299 -2.611 -3.607 1.00 15.25 C ATOM 11 O ASP A 2 28.288 -3.060 -4.186 1.00 3.43 O ATOM 12 CB ASP A 2 26.761 -1.113 -5.622 1.00 40.13 C ATOM 13 CG ASP A 2 25.662 -0.226 -6.195 1.00 51.21 C ATOM 14 OD1 ASP A 2 24.495 -0.683 -6.277 1.00 53.30 O ATOM 15 OD2 ASP A 2 25.962 0.958 -6.464 1.00 22.32 O ATOM 0 H ASP A 2 25.837 0.273 -3.123 1.00 33.45 H new ATOM 0 HA ASP A 2 25.477 -1.681 -4.045 1.00 62.14 H new ATOM 0 HB2 ASP A 2 27.728 -0.628 -5.753 1.00 40.13 H new ATOM 0 HB3 ASP A 2 26.798 -2.052 -6.174 1.00 40.13 H new ATOM 19 N ASP A 3 26.805 -3.141 -2.491 1.00 44.11 N ATOM 20 CA ASP A 3 27.405 -4.190 -1.672 1.00 61.21 C ATOM 21 C ASP A 3 26.270 -5.048 -1.108 1.00 52.32 C ATOM 22 O ASP A 3 26.061 -6.190 -1.531 1.00 21.05 O ATOM 23 CB ASP A 3 28.242 -3.515 -0.572 1.00 63.41 C ATOM 24 CG ASP A 3 28.536 -4.413 0.629 1.00 64.12 C ATOM 25 OD1 ASP A 3 28.723 -5.636 0.473 1.00 2.12 O ATOM 26 OD2 ASP A 3 28.565 -3.870 1.759 1.00 51.23 O ATOM 0 H ASP A 3 25.913 -2.827 -2.109 1.00 44.11 H new ATOM 0 HA ASP A 3 28.068 -4.841 -2.242 1.00 61.21 H new ATOM 0 HB2 ASP A 3 29.186 -3.182 -1.002 1.00 63.41 H new ATOM 0 HB3 ASP A 3 27.717 -2.624 -0.226 1.00 63.41 H new ATOM 30 N ARG A 4 25.457 -4.462 -0.223 1.00 72.22 N ATOM 31 CA ARG A 4 24.334 -5.125 0.445 1.00 23.13 C ATOM 32 C ARG A 4 23.243 -4.118 0.825 1.00 71.23 C ATOM 33 O ARG A 4 22.571 -4.281 1.845 1.00 64.10 O ATOM 34 CB ARG A 4 24.886 -5.909 1.654 1.00 60.04 C ATOM 35 CG ARG A 4 25.520 -5.033 2.743 1.00 2.54 C ATOM 36 CD ARG A 4 26.350 -5.845 3.747 1.00 20.04 C ATOM 37 NE ARG A 4 25.730 -5.799 5.083 1.00 41.50 N ATOM 38 CZ ARG A 4 26.102 -5.000 6.090 1.00 31.11 C ATOM 39 NH1 ARG A 4 27.210 -4.271 6.027 1.00 40.42 N ATOM 40 NH2 ARG A 4 25.367 -4.908 7.187 1.00 41.33 N ATOM 0 H ARG A 4 25.566 -3.487 0.056 1.00 72.22 H new ATOM 0 HA ARG A 4 23.850 -5.831 -0.230 1.00 23.13 H new ATOM 0 HB2 ARG A 4 24.075 -6.488 2.097 1.00 60.04 H new ATOM 0 HB3 ARG A 4 25.630 -6.622 1.300 1.00 60.04 H new ATOM 0 HG2 ARG A 4 26.156 -4.282 2.275 1.00 2.54 H new ATOM 0 HG3 ARG A 4 24.734 -4.498 3.276 1.00 2.54 H new ATOM 0 HD2 ARG A 4 26.429 -6.879 3.411 1.00 20.04 H new ATOM 0 HD3 ARG A 4 27.364 -5.448 3.796 1.00 20.04 H new ATOM 0 HE ARG A 4 24.949 -6.432 5.255 1.00 41.50 H new ATOM 0 HH11 ARG A 4 27.801 -4.312 5.197 1.00 40.42 H new ATOM 0 HH12 ARG A 4 27.470 -3.670 6.809 1.00 40.42 H new ATOM 0 HH21 ARG A 4 24.507 -5.450 7.271 1.00 41.33 H new ATOM 0 HH22 ARG A 4 25.661 -4.296 7.948 1.00 41.33 H new ATOM 51 N LYS A 5 23.104 -3.020 0.073 1.00 71.10 N ATOM 52 CA LYS A 5 22.469 -1.797 0.509 1.00 42.31 C ATOM 53 C LYS A 5 21.396 -1.329 -0.447 1.00 22.33 C ATOM 54 O LYS A 5 21.639 -0.480 -1.312 1.00 54.30 O ATOM 55 CB LYS A 5 23.522 -0.752 0.814 1.00 73.11 C ATOM 56 CG LYS A 5 23.012 0.549 1.457 1.00 14.51 C ATOM 57 CD LYS A 5 22.004 0.327 2.595 1.00 2.53 C ATOM 58 CE LYS A 5 21.903 1.539 3.528 1.00 23.21 C ATOM 59 NZ LYS A 5 20.532 1.774 4.027 1.00 0.11 N ATOM 0 H LYS A 5 23.446 -2.969 -0.887 1.00 71.10 H new ATOM 0 HA LYS A 5 21.931 -1.991 1.437 1.00 42.31 H new ATOM 0 HB2 LYS A 5 24.265 -1.195 1.477 1.00 73.11 H new ATOM 0 HB3 LYS A 5 24.034 -0.499 -0.114 1.00 73.11 H new ATOM 0 HG2 LYS A 5 23.863 1.110 1.843 1.00 14.51 H new ATOM 0 HG3 LYS A 5 22.547 1.165 0.688 1.00 14.51 H new ATOM 0 HD2 LYS A 5 21.022 0.115 2.171 1.00 2.53 H new ATOM 0 HD3 LYS A 5 22.298 -0.549 3.172 1.00 2.53 H new ATOM 0 HE2 LYS A 5 22.572 1.394 4.376 1.00 23.21 H new ATOM 0 HE3 LYS A 5 22.248 2.427 2.999 1.00 23.21 H new ATOM 0 HZ1 LYS A 5 20.528 2.605 4.652 1.00 0.11 H new ATOM 0 HZ2 LYS A 5 19.894 1.942 3.223 1.00 0.11 H new ATOM 0 HZ3 LYS A 5 20.208 0.940 4.558 1.00 0.11 H new ATOM 69 N LEU A 6 20.209 -1.909 -0.307 1.00 35.05 N ATOM 70 CA LEU A 6 19.074 -1.670 -1.189 1.00 44.23 C ATOM 71 C LEU A 6 17.932 -1.088 -0.363 1.00 41.52 C ATOM 72 O LEU A 6 17.788 -1.429 0.816 1.00 72.03 O ATOM 73 CB LEU A 6 18.638 -2.967 -1.892 1.00 72.44 C ATOM 74 CG LEU A 6 19.768 -3.844 -2.472 1.00 0.13 C ATOM 75 CD1 LEU A 6 19.141 -4.965 -3.302 1.00 41.14 C ATOM 76 CD2 LEU A 6 20.775 -3.085 -3.347 1.00 54.51 C ATOM 0 H LEU A 6 20.005 -2.573 0.440 1.00 35.05 H new ATOM 0 HA LEU A 6 19.360 -0.964 -1.968 1.00 44.23 H new ATOM 0 HB2 LEU A 6 18.070 -3.567 -1.181 1.00 72.44 H new ATOM 0 HB3 LEU A 6 17.958 -2.705 -2.703 1.00 72.44 H new ATOM 0 HG LEU A 6 20.330 -4.225 -1.620 1.00 0.13 H new ATOM 0 HD11 LEU A 6 19.928 -5.593 -3.719 1.00 41.14 H new ATOM 0 HD12 LEU A 6 18.493 -5.569 -2.667 1.00 41.14 H new ATOM 0 HD13 LEU A 6 18.555 -4.533 -4.113 1.00 41.14 H new ATOM 0 HD21 LEU A 6 21.534 -3.777 -3.712 1.00 54.51 H new ATOM 0 HD22 LEU A 6 20.256 -2.636 -4.194 1.00 54.51 H new ATOM 0 HD23 LEU A 6 21.252 -2.302 -2.757 1.00 54.51 H new ATOM 87 N MET A 7 17.128 -0.224 -0.982 1.00 3.12 N ATOM 88 CA MET A 7 15.863 0.251 -0.447 1.00 61.35 C ATOM 89 C MET A 7 14.836 -0.882 -0.515 1.00 63.44 C ATOM 90 O MET A 7 15.088 -1.947 -1.100 1.00 62.22 O ATOM 91 CB MET A 7 15.371 1.449 -1.291 1.00 33.12 C ATOM 92 CG MET A 7 16.306 2.663 -1.256 1.00 13.13 C ATOM 93 SD MET A 7 16.762 3.278 0.386 1.00 21.15 S ATOM 94 CE MET A 7 15.129 3.476 1.137 1.00 44.50 C ATOM 0 H MET A 7 17.350 0.173 -1.895 1.00 3.12 H new ATOM 0 HA MET A 7 15.991 0.566 0.588 1.00 61.35 H new ATOM 0 HB2 MET A 7 15.250 1.126 -2.325 1.00 33.12 H new ATOM 0 HB3 MET A 7 14.386 1.751 -0.934 1.00 33.12 H new ATOM 0 HG2 MET A 7 17.220 2.406 -1.791 1.00 13.13 H new ATOM 0 HG3 MET A 7 15.832 3.476 -1.806 1.00 13.13 H new ATOM 0 HE1 MET A 7 15.233 3.949 2.114 1.00 44.50 H new ATOM 0 HE2 MET A 7 14.507 4.100 0.496 1.00 44.50 H new ATOM 0 HE3 MET A 7 14.662 2.498 1.255 1.00 44.50 H new ATOM 102 N LYS A 8 13.627 -0.605 -0.020 1.00 42.31 N ATOM 103 CA LYS A 8 12.439 -1.367 -0.400 1.00 33.14 C ATOM 104 C LYS A 8 12.242 -1.335 -1.919 1.00 20.30 C ATOM 105 O LYS A 8 12.985 -0.681 -2.658 1.00 15.13 O ATOM 106 CB LYS A 8 11.195 -0.870 0.352 1.00 1.32 C ATOM 107 CG LYS A 8 11.341 -1.130 1.855 1.00 0.53 C ATOM 108 CD LYS A 8 9.987 -1.120 2.578 1.00 0.32 C ATOM 109 CE LYS A 8 10.161 -1.201 4.096 1.00 0.44 C ATOM 110 NZ LYS A 8 10.937 -2.387 4.515 1.00 41.32 N ATOM 0 H LYS A 8 13.447 0.145 0.647 1.00 42.31 H new ATOM 0 HA LYS A 8 12.590 -2.407 -0.109 1.00 33.14 H new ATOM 0 HB2 LYS A 8 11.055 0.196 0.173 1.00 1.32 H new ATOM 0 HB3 LYS A 8 10.307 -1.376 -0.027 1.00 1.32 H new ATOM 0 HG2 LYS A 8 11.827 -2.093 2.010 1.00 0.53 H new ATOM 0 HG3 LYS A 8 11.990 -0.371 2.292 1.00 0.53 H new ATOM 0 HD2 LYS A 8 9.443 -0.211 2.321 1.00 0.32 H new ATOM 0 HD3 LYS A 8 9.384 -1.960 2.235 1.00 0.32 H new ATOM 0 HE2 LYS A 8 10.662 -0.300 4.449 1.00 0.44 H new ATOM 0 HE3 LYS A 8 9.180 -1.227 4.570 1.00 0.44 H new ATOM 0 HZ1 LYS A 8 10.710 -2.619 5.503 1.00 41.32 H new ATOM 0 HZ2 LYS A 8 10.695 -3.194 3.905 1.00 41.32 H new ATOM 0 HZ3 LYS A 8 11.954 -2.184 4.432 1.00 41.32 H new ATOM 120 N THR A 9 11.302 -2.140 -2.388 1.00 24.00 N ATOM 121 CA THR A 9 10.937 -2.329 -3.780 1.00 21.41 C ATOM 122 C THR A 9 9.412 -2.331 -3.858 1.00 1.40 C ATOM 123 O THR A 9 8.740 -2.384 -2.821 1.00 3.10 O ATOM 124 CB THR A 9 11.549 -3.658 -4.256 1.00 32.00 C ATOM 125 OG1 THR A 9 11.371 -4.660 -3.265 1.00 63.31 O ATOM 126 CG2 THR A 9 13.038 -3.470 -4.523 1.00 51.24 C ATOM 0 H THR A 9 10.737 -2.716 -1.764 1.00 24.00 H new ATOM 0 HA THR A 9 11.314 -1.536 -4.426 1.00 21.41 H new ATOM 0 HB THR A 9 11.049 -3.969 -5.173 1.00 32.00 H new ATOM 0 HG1 THR A 9 11.762 -5.502 -3.578 1.00 63.31 H new ATOM 0 HG21 THR A 9 13.469 -4.413 -4.860 1.00 51.24 H new ATOM 0 HG22 THR A 9 13.177 -2.712 -5.294 1.00 51.24 H new ATOM 0 HG23 THR A 9 13.535 -3.151 -3.607 1.00 51.24 H new ATOM 134 N GLN A 10 8.852 -2.294 -5.070 1.00 21.04 N ATOM 135 CA GLN A 10 7.407 -2.277 -5.237 1.00 40.45 C ATOM 136 C GLN A 10 6.790 -3.531 -4.617 1.00 31.13 C ATOM 137 O GLN A 10 5.707 -3.435 -4.049 1.00 41.35 O ATOM 138 CB GLN A 10 7.065 -2.122 -6.728 1.00 33.32 C ATOM 139 CG GLN A 10 5.732 -1.400 -6.989 1.00 13.54 C ATOM 140 CD GLN A 10 4.518 -2.308 -7.185 1.00 54.41 C ATOM 141 OE1 GLN A 10 4.594 -3.532 -7.153 1.00 71.25 O ATOM 142 NE2 GLN A 10 3.367 -1.703 -7.432 1.00 14.51 N ATOM 0 H GLN A 10 9.379 -2.275 -5.943 1.00 21.04 H new ATOM 0 HA GLN A 10 6.978 -1.423 -4.712 1.00 40.45 H new ATOM 0 HB2 GLN A 10 7.867 -1.572 -7.220 1.00 33.32 H new ATOM 0 HB3 GLN A 10 7.028 -3.110 -7.187 1.00 33.32 H new ATOM 0 HG2 GLN A 10 5.532 -0.731 -6.152 1.00 13.54 H new ATOM 0 HG3 GLN A 10 5.844 -0.777 -7.876 1.00 13.54 H new ATOM 0 HE21 GLN A 10 3.321 -0.684 -7.455 1.00 14.51 H new ATOM 0 HE22 GLN A 10 2.526 -2.255 -7.599 1.00 14.51 H new ATOM 149 N GLU A 11 7.501 -4.666 -4.653 1.00 41.31 N ATOM 150 CA GLU A 11 7.075 -5.907 -4.016 1.00 23.23 C ATOM 151 C GLU A 11 6.917 -5.739 -2.520 1.00 41.14 C ATOM 152 O GLU A 11 5.832 -5.997 -2.017 1.00 34.04 O ATOM 153 CB GLU A 11 8.073 -7.039 -4.306 1.00 15.10 C ATOM 154 CG GLU A 11 7.399 -8.008 -5.289 1.00 0.23 C ATOM 155 CD GLU A 11 8.382 -8.815 -6.116 1.00 51.11 C ATOM 156 OE1 GLU A 11 9.266 -8.195 -6.754 1.00 12.34 O ATOM 157 OE2 GLU A 11 8.198 -10.048 -6.231 1.00 52.42 O ATOM 0 H GLU A 11 8.398 -4.743 -5.132 1.00 41.31 H new ATOM 0 HA GLU A 11 6.104 -6.168 -4.437 1.00 23.23 H new ATOM 0 HB2 GLU A 11 8.993 -6.639 -4.732 1.00 15.10 H new ATOM 0 HB3 GLU A 11 8.346 -7.555 -3.385 1.00 15.10 H new ATOM 0 HG2 GLU A 11 6.759 -8.692 -4.731 1.00 0.23 H new ATOM 0 HG3 GLU A 11 6.752 -7.441 -5.959 1.00 0.23 H new ATOM 162 N GLU A 12 7.981 -5.307 -1.838 1.00 31.30 N ATOM 163 CA GLU A 12 8.007 -5.078 -0.398 1.00 72.42 C ATOM 164 C GLU A 12 6.818 -4.214 -0.008 1.00 20.00 C ATOM 165 O GLU A 12 5.989 -4.599 0.810 1.00 61.13 O ATOM 166 CB GLU A 12 9.327 -4.373 -0.034 1.00 14.50 C ATOM 167 CG GLU A 12 10.389 -5.338 0.492 1.00 53.51 C ATOM 168 CD GLU A 12 10.318 -5.502 2.021 1.00 4.44 C ATOM 169 OE1 GLU A 12 10.245 -4.501 2.770 1.00 40.52 O ATOM 170 OE2 GLU A 12 10.372 -6.651 2.512 1.00 35.10 O ATOM 0 H GLU A 12 8.872 -5.102 -2.289 1.00 31.30 H new ATOM 0 HA GLU A 12 7.945 -6.024 0.140 1.00 72.42 H new ATOM 0 HB2 GLU A 12 9.714 -3.859 -0.914 1.00 14.50 H new ATOM 0 HB3 GLU A 12 9.130 -3.610 0.720 1.00 14.50 H new ATOM 0 HG2 GLU A 12 10.261 -6.311 0.017 1.00 53.51 H new ATOM 0 HG3 GLU A 12 11.378 -4.975 0.213 1.00 53.51 H new ATOM 175 N LEU A 13 6.724 -3.041 -0.625 1.00 3.34 N ATOM 176 CA LEU A 13 5.741 -2.034 -0.274 1.00 14.40 C ATOM 177 C LEU A 13 4.327 -2.597 -0.481 1.00 3.21 C ATOM 178 O LEU A 13 3.461 -2.433 0.382 1.00 31.33 O ATOM 179 CB LEU A 13 6.024 -0.775 -1.122 1.00 14.22 C ATOM 180 CG LEU A 13 7.411 -0.151 -0.871 1.00 73.05 C ATOM 181 CD1 LEU A 13 7.797 0.799 -2.007 1.00 55.45 C ATOM 182 CD2 LEU A 13 7.477 0.584 0.463 1.00 11.10 C ATOM 0 H LEU A 13 7.338 -2.764 -1.391 1.00 3.34 H new ATOM 0 HA LEU A 13 5.809 -1.755 0.778 1.00 14.40 H new ATOM 0 HB2 LEU A 13 5.938 -1.033 -2.178 1.00 14.22 H new ATOM 0 HB3 LEU A 13 5.258 -0.029 -0.913 1.00 14.22 H new ATOM 0 HG LEU A 13 8.124 -0.975 -0.835 1.00 73.05 H new ATOM 0 HD11 LEU A 13 8.779 1.226 -1.806 1.00 55.45 H new ATOM 0 HD12 LEU A 13 7.826 0.249 -2.947 1.00 55.45 H new ATOM 0 HD13 LEU A 13 7.061 1.600 -2.078 1.00 55.45 H new ATOM 0 HD21 LEU A 13 8.473 1.007 0.596 1.00 11.10 H new ATOM 0 HD22 LEU A 13 6.738 1.385 0.474 1.00 11.10 H new ATOM 0 HD23 LEU A 13 7.268 -0.114 1.274 1.00 11.10 H new ATOM 193 N THR A 14 4.103 -3.302 -1.589 1.00 74.02 N ATOM 194 CA THR A 14 2.843 -3.974 -1.875 1.00 34.21 C ATOM 195 C THR A 14 2.573 -5.105 -0.865 1.00 52.31 C ATOM 196 O THR A 14 1.442 -5.187 -0.395 1.00 73.15 O ATOM 197 CB THR A 14 2.821 -4.448 -3.342 1.00 31.31 C ATOM 198 OG1 THR A 14 3.076 -3.351 -4.197 1.00 75.25 O ATOM 199 CG2 THR A 14 1.471 -5.023 -3.777 1.00 2.50 C ATOM 0 H THR A 14 4.803 -3.422 -2.321 1.00 74.02 H new ATOM 0 HA THR A 14 2.021 -3.268 -1.754 1.00 34.21 H new ATOM 0 HB THR A 14 3.579 -5.228 -3.411 1.00 31.31 H new ATOM 0 HG1 THR A 14 4.015 -3.366 -4.478 1.00 75.25 H new ATOM 0 HG21 THR A 14 1.528 -5.336 -4.819 1.00 2.50 H new ATOM 0 HG22 THR A 14 1.223 -5.882 -3.153 1.00 2.50 H new ATOM 0 HG23 THR A 14 0.699 -4.261 -3.669 1.00 2.50 H new ATOM 207 N GLU A 15 3.553 -5.938 -0.484 1.00 42.43 N ATOM 208 CA GLU A 15 3.383 -7.045 0.464 1.00 33.10 C ATOM 209 C GLU A 15 2.902 -6.488 1.797 1.00 51.35 C ATOM 210 O GLU A 15 1.936 -6.987 2.365 1.00 51.11 O ATOM 211 CB GLU A 15 4.699 -7.820 0.715 1.00 75.31 C ATOM 212 CG GLU A 15 5.116 -8.839 -0.351 1.00 13.30 C ATOM 213 CD GLU A 15 4.064 -9.929 -0.547 1.00 44.51 C ATOM 214 OE1 GLU A 15 4.086 -10.917 0.217 1.00 4.10 O ATOM 215 OE2 GLU A 15 3.237 -9.801 -1.483 1.00 64.15 O ATOM 0 H GLU A 15 4.507 -5.857 -0.836 1.00 42.43 H new ATOM 0 HA GLU A 15 2.660 -7.734 0.028 1.00 33.10 H new ATOM 0 HB2 GLU A 15 5.505 -7.094 0.825 1.00 75.31 H new ATOM 0 HB3 GLU A 15 4.609 -8.342 1.667 1.00 75.31 H new ATOM 0 HG2 GLU A 15 5.285 -8.325 -1.297 1.00 13.30 H new ATOM 0 HG3 GLU A 15 6.063 -9.297 -0.064 1.00 13.30 H new ATOM 220 N ILE A 16 3.566 -5.439 2.280 1.00 0.14 N ATOM 221 CA ILE A 16 3.297 -4.830 3.572 1.00 3.53 C ATOM 222 C ILE A 16 1.837 -4.357 3.621 1.00 75.34 C ATOM 223 O ILE A 16 1.119 -4.628 4.586 1.00 13.33 O ATOM 224 CB ILE A 16 4.311 -3.677 3.780 1.00 3.14 C ATOM 225 CG1 ILE A 16 5.775 -4.164 3.891 1.00 74.35 C ATOM 226 CG2 ILE A 16 3.958 -2.884 5.040 1.00 23.21 C ATOM 227 CD1 ILE A 16 6.806 -3.084 3.540 1.00 71.02 C ATOM 0 H ILE A 16 4.322 -4.982 1.769 1.00 0.14 H new ATOM 0 HA ILE A 16 3.422 -5.543 4.386 1.00 3.53 H new ATOM 0 HB ILE A 16 4.240 -3.047 2.893 1.00 3.14 H new ATOM 0 HG12 ILE A 16 5.958 -4.513 4.907 1.00 74.35 H new ATOM 0 HG13 ILE A 16 5.917 -5.019 3.230 1.00 74.35 H new ATOM 0 HG21 ILE A 16 4.678 -2.077 5.175 1.00 23.21 H new ATOM 0 HG22 ILE A 16 2.957 -2.465 4.937 1.00 23.21 H new ATOM 0 HG23 ILE A 16 3.987 -3.545 5.906 1.00 23.21 H new ATOM 0 HD11 ILE A 16 7.811 -3.494 3.639 1.00 71.02 H new ATOM 0 HD12 ILE A 16 6.649 -2.751 2.514 1.00 71.02 H new ATOM 0 HD13 ILE A 16 6.691 -2.238 4.217 1.00 71.02 H new ATOM 238 N VAL A 17 1.384 -3.650 2.583 1.00 0.23 N ATOM 239 CA VAL A 17 -0.010 -3.248 2.431 1.00 22.10 C ATOM 240 C VAL A 17 -0.929 -4.465 2.346 1.00 75.22 C ATOM 241 O VAL A 17 -1.943 -4.530 3.044 1.00 35.43 O ATOM 242 CB VAL A 17 -0.112 -2.290 1.224 1.00 61.35 C ATOM 243 CG1 VAL A 17 -1.544 -2.099 0.697 1.00 55.54 C ATOM 244 CG2 VAL A 17 0.479 -0.939 1.669 1.00 1.43 C ATOM 0 H VAL A 17 1.983 -3.339 1.819 1.00 0.23 H new ATOM 0 HA VAL A 17 -0.356 -2.705 3.311 1.00 22.10 H new ATOM 0 HB VAL A 17 0.439 -2.726 0.391 1.00 61.35 H new ATOM 0 HG11 VAL A 17 -1.532 -1.413 -0.150 1.00 55.54 H new ATOM 0 HG12 VAL A 17 -1.946 -3.061 0.379 1.00 55.54 H new ATOM 0 HG13 VAL A 17 -2.171 -1.687 1.488 1.00 55.54 H new ATOM 0 HG21 VAL A 17 0.427 -0.229 0.843 1.00 1.43 H new ATOM 0 HG22 VAL A 17 -0.090 -0.554 2.515 1.00 1.43 H new ATOM 0 HG23 VAL A 17 1.519 -1.076 1.964 1.00 1.43 H new ATOM 254 N ARG A 18 -0.597 -5.430 1.491 1.00 1.24 N ATOM 255 CA ARG A 18 -1.425 -6.590 1.212 1.00 62.15 C ATOM 256 C ARG A 18 -1.706 -7.362 2.481 1.00 60.12 C ATOM 257 O ARG A 18 -2.871 -7.647 2.739 1.00 20.04 O ATOM 258 CB ARG A 18 -0.710 -7.472 0.190 1.00 40.25 C ATOM 259 CG ARG A 18 -1.578 -8.644 -0.268 1.00 21.23 C ATOM 260 CD ARG A 18 -0.781 -9.656 -1.094 1.00 3.43 C ATOM 261 NE ARG A 18 -1.492 -10.939 -1.100 1.00 42.41 N ATOM 262 CZ ARG A 18 -2.430 -11.336 -1.962 1.00 0.41 C ATOM 263 NH1 ARG A 18 -2.751 -10.624 -3.036 1.00 60.32 N ATOM 264 NH2 ARG A 18 -3.109 -12.443 -1.721 1.00 40.25 N ATOM 0 H ARG A 18 0.276 -5.422 0.964 1.00 1.24 H new ATOM 0 HA ARG A 18 -2.382 -6.265 0.805 1.00 62.15 H new ATOM 0 HB2 ARG A 18 -0.430 -6.870 -0.674 1.00 40.25 H new ATOM 0 HB3 ARG A 18 0.213 -7.854 0.625 1.00 40.25 H new ATOM 0 HG2 ARG A 18 -2.005 -9.142 0.603 1.00 21.23 H new ATOM 0 HG3 ARG A 18 -2.412 -8.268 -0.861 1.00 21.23 H new ATOM 0 HD2 ARG A 18 -0.654 -9.292 -2.114 1.00 3.43 H new ATOM 0 HD3 ARG A 18 0.217 -9.781 -0.674 1.00 3.43 H new ATOM 0 HE ARG A 18 -1.242 -11.600 -0.365 1.00 42.41 H new ATOM 0 HH11 ARG A 18 -2.275 -9.742 -3.224 1.00 60.32 H new ATOM 0 HH12 ARG A 18 -3.474 -10.959 -3.673 1.00 60.32 H new ATOM 0 HH21 ARG A 18 -2.915 -12.988 -0.881 1.00 40.25 H new ATOM 0 HH22 ARG A 18 -3.828 -12.753 -2.375 1.00 40.25 H new ATOM 275 N ASP A 19 -0.672 -7.657 3.268 1.00 44.34 N ATOM 276 CA ASP A 19 -0.756 -8.542 4.427 1.00 11.43 C ATOM 277 C ASP A 19 -1.689 -7.981 5.500 1.00 20.20 C ATOM 278 O ASP A 19 -2.191 -8.706 6.358 1.00 24.14 O ATOM 279 CB ASP A 19 0.648 -8.748 5.010 1.00 52.21 C ATOM 280 CG ASP A 19 0.708 -9.811 6.113 1.00 31.12 C ATOM 281 OD1 ASP A 19 -0.049 -10.814 6.059 1.00 23.03 O ATOM 282 OD2 ASP A 19 1.571 -9.648 7.002 1.00 60.45 O ATOM 0 H ASP A 19 0.263 -7.281 3.114 1.00 44.34 H new ATOM 0 HA ASP A 19 -1.168 -9.496 4.099 1.00 11.43 H new ATOM 0 HB2 ASP A 19 1.327 -9.032 4.206 1.00 52.21 H new ATOM 0 HB3 ASP A 19 1.008 -7.800 5.411 1.00 52.21 H new ATOM 286 N HIS A 20 -1.953 -6.675 5.437 1.00 61.02 N ATOM 287 CA HIS A 20 -2.836 -6.001 6.381 1.00 53.53 C ATOM 288 C HIS A 20 -4.273 -5.944 5.865 1.00 35.12 C ATOM 289 O HIS A 20 -5.194 -5.703 6.649 1.00 74.02 O ATOM 290 CB HIS A 20 -2.299 -4.594 6.662 1.00 21.30 C ATOM 291 CG HIS A 20 -1.156 -4.595 7.643 1.00 20.00 C ATOM 292 ND1 HIS A 20 -1.031 -3.730 8.702 1.00 21.32 N ATOM 293 CD2 HIS A 20 -0.061 -5.419 7.649 1.00 71.24 C ATOM 294 CE1 HIS A 20 0.110 -4.017 9.339 1.00 41.14 C ATOM 295 NE2 HIS A 20 0.736 -5.042 8.737 1.00 44.54 N ATOM 0 H HIS A 20 -1.559 -6.057 4.728 1.00 61.02 H new ATOM 0 HA HIS A 20 -2.854 -6.572 7.309 1.00 53.53 H new ATOM 0 HB2 HIS A 20 -1.970 -4.141 5.727 1.00 21.30 H new ATOM 0 HB3 HIS A 20 -3.106 -3.972 7.050 1.00 21.30 H new ATOM 0 HD2 HIS A 20 0.148 -6.211 6.946 1.00 71.24 H new ATOM 0 HE1 HIS A 20 0.476 -3.498 10.213 1.00 41.14 H new ATOM 0 HE2 HIS A 20 1.621 -5.464 9.018 1.00 44.54 H new ATOM 302 N PHE A 21 -4.493 -6.158 4.568 1.00 54.55 N ATOM 303 CA PHE A 21 -5.747 -5.851 3.899 1.00 35.31 C ATOM 304 C PHE A 21 -6.474 -7.093 3.381 1.00 22.42 C ATOM 305 O PHE A 21 -7.708 -7.123 3.380 1.00 64.41 O ATOM 306 CB PHE A 21 -5.463 -4.852 2.771 1.00 51.41 C ATOM 307 CG PHE A 21 -6.460 -3.725 2.628 1.00 0.53 C ATOM 308 CD1 PHE A 21 -7.771 -3.837 3.132 1.00 15.20 C ATOM 309 CD2 PHE A 21 -6.014 -2.512 2.073 1.00 20.02 C ATOM 310 CE1 PHE A 21 -8.597 -2.706 3.162 1.00 0.20 C ATOM 311 CE2 PHE A 21 -6.868 -1.400 2.066 1.00 52.32 C ATOM 312 CZ PHE A 21 -8.146 -1.490 2.638 1.00 60.35 C ATOM 0 H PHE A 21 -3.790 -6.557 3.946 1.00 54.55 H new ATOM 0 HA PHE A 21 -6.426 -5.410 4.628 1.00 35.31 H new ATOM 0 HB2 PHE A 21 -4.475 -4.420 2.933 1.00 51.41 H new ATOM 0 HB3 PHE A 21 -5.422 -5.398 1.829 1.00 51.41 H new ATOM 0 HD1 PHE A 21 -8.136 -4.787 3.492 1.00 15.20 H new ATOM 0 HD2 PHE A 21 -5.021 -2.438 1.655 1.00 20.02 H new ATOM 0 HE1 PHE A 21 -9.586 -2.773 3.591 1.00 0.20 H new ATOM 0 HE2 PHE A 21 -6.541 -0.472 1.619 1.00 52.32 H new ATOM 0 HZ PHE A 21 -8.783 -0.619 2.674 1.00 60.35 H new ATOM 321 N SER A 22 -5.749 -8.157 3.010 1.00 74.21 N ATOM 322 CA SER A 22 -6.376 -9.434 2.651 1.00 3.10 C ATOM 323 C SER A 22 -7.272 -9.941 3.777 1.00 2.24 C ATOM 324 O SER A 22 -8.247 -10.646 3.547 1.00 75.02 O ATOM 325 CB SER A 22 -5.307 -10.477 2.293 1.00 74.42 C ATOM 326 OG SER A 22 -4.157 -10.343 3.109 1.00 31.23 O ATOM 0 H SER A 22 -4.731 -8.158 2.951 1.00 74.21 H new ATOM 0 HA SER A 22 -7.003 -9.269 1.775 1.00 3.10 H new ATOM 0 HB2 SER A 22 -5.721 -11.479 2.408 1.00 74.42 H new ATOM 0 HB3 SER A 22 -5.026 -10.367 1.246 1.00 74.42 H new ATOM 0 HG SER A 22 -3.496 -11.022 2.857 1.00 31.23 H new ATOM 331 N ASP A 23 -6.959 -9.545 5.005 1.00 55.15 N ATOM 332 CA ASP A 23 -7.597 -10.036 6.206 1.00 63.34 C ATOM 333 C ASP A 23 -8.906 -9.315 6.493 1.00 31.43 C ATOM 334 O ASP A 23 -9.690 -9.788 7.307 1.00 63.44 O ATOM 335 CB ASP A 23 -6.646 -9.810 7.372 1.00 23.33 C ATOM 336 CG ASP A 23 -6.884 -10.847 8.458 1.00 64.34 C ATOM 337 OD1 ASP A 23 -6.333 -11.968 8.336 1.00 4.23 O ATOM 338 OD2 ASP A 23 -7.577 -10.541 9.448 1.00 61.03 O ATOM 0 H ASP A 23 -6.233 -8.853 5.191 1.00 55.15 H new ATOM 0 HA ASP A 23 -7.824 -11.093 6.069 1.00 63.34 H new ATOM 0 HB2 ASP A 23 -5.614 -9.868 7.025 1.00 23.33 H new ATOM 0 HB3 ASP A 23 -6.790 -8.809 7.778 1.00 23.33 H new ATOM 342 N MET A 24 -9.179 -8.180 5.842 1.00 21.33 N ATOM 343 CA MET A 24 -10.050 -7.142 6.347 1.00 24.22 C ATOM 344 C MET A 24 -11.340 -7.031 5.502 1.00 11.51 C ATOM 345 O MET A 24 -12.025 -6.001 5.499 1.00 24.34 O ATOM 346 CB MET A 24 -9.123 -5.917 6.442 1.00 24.02 C ATOM 347 CG MET A 24 -9.825 -4.644 6.851 1.00 51.23 C ATOM 348 SD MET A 24 -8.837 -3.421 7.772 1.00 13.54 S ATOM 349 CE MET A 24 -7.800 -2.724 6.464 1.00 75.15 C ATOM 0 H MET A 24 -8.785 -7.963 4.927 1.00 21.33 H new ATOM 0 HA MET A 24 -10.486 -7.319 7.330 1.00 24.22 H new ATOM 0 HB2 MET A 24 -8.330 -6.129 7.160 1.00 24.02 H new ATOM 0 HB3 MET A 24 -8.644 -5.761 5.475 1.00 24.02 H new ATOM 0 HG2 MET A 24 -10.208 -4.163 5.951 1.00 51.23 H new ATOM 0 HG3 MET A 24 -10.688 -4.913 7.461 1.00 51.23 H new ATOM 0 HE1 MET A 24 -6.986 -2.154 6.911 1.00 75.15 H new ATOM 0 HE2 MET A 24 -7.388 -3.531 5.858 1.00 75.15 H new ATOM 0 HE3 MET A 24 -8.401 -2.067 5.835 1.00 75.15 H new ATOM 357 N GLY A 25 -11.703 -8.110 4.803 1.00 34.24 N ATOM 358 CA GLY A 25 -12.911 -8.253 4.005 1.00 15.42 C ATOM 359 C GLY A 25 -12.540 -8.883 2.670 1.00 35.44 C ATOM 360 O GLY A 25 -11.846 -9.902 2.651 1.00 12.21 O ATOM 0 H GLY A 25 -11.126 -8.951 4.782 1.00 34.24 H new ATOM 0 HA2 GLY A 25 -13.638 -8.875 4.528 1.00 15.42 H new ATOM 0 HA3 GLY A 25 -13.378 -7.281 3.848 1.00 15.42 H new ATOM 364 N GLU A 26 -12.998 -8.305 1.559 1.00 21.13 N ATOM 365 CA GLU A 26 -12.739 -8.799 0.209 1.00 0.11 C ATOM 366 C GLU A 26 -12.361 -7.651 -0.713 1.00 72.11 C ATOM 367 O GLU A 26 -13.228 -6.968 -1.269 1.00 4.24 O ATOM 368 CB GLU A 26 -13.952 -9.545 -0.328 1.00 23.41 C ATOM 369 CG GLU A 26 -14.021 -10.947 0.266 1.00 0.42 C ATOM 370 CD GLU A 26 -15.215 -11.698 -0.311 1.00 61.25 C ATOM 371 OE1 GLU A 26 -16.349 -11.163 -0.239 1.00 23.01 O ATOM 372 OE2 GLU A 26 -15.023 -12.791 -0.881 1.00 43.13 O ATOM 0 H GLU A 26 -13.572 -7.462 1.575 1.00 21.13 H new ATOM 0 HA GLU A 26 -11.901 -9.495 0.250 1.00 0.11 H new ATOM 0 HB2 GLU A 26 -14.861 -8.995 -0.085 1.00 23.41 H new ATOM 0 HB3 GLU A 26 -13.897 -9.606 -1.415 1.00 23.41 H new ATOM 0 HG2 GLU A 26 -13.100 -11.489 0.049 1.00 0.42 H new ATOM 0 HG3 GLU A 26 -14.108 -10.888 1.351 1.00 0.42 H new ATOM 377 N ILE A 27 -11.055 -7.451 -0.864 1.00 63.03 N ATOM 378 CA ILE A 27 -10.503 -6.569 -1.877 1.00 60.02 C ATOM 379 C ILE A 27 -10.888 -7.139 -3.245 1.00 24.41 C ATOM 380 O ILE A 27 -10.899 -8.357 -3.449 1.00 60.35 O ATOM 381 CB ILE A 27 -8.970 -6.433 -1.744 1.00 54.24 C ATOM 382 CG1 ILE A 27 -8.512 -5.983 -0.342 1.00 73.42 C ATOM 383 CG2 ILE A 27 -8.454 -5.407 -2.773 1.00 73.24 C ATOM 384 CD1 ILE A 27 -6.996 -6.092 -0.166 1.00 54.32 C ATOM 0 H ILE A 27 -10.349 -7.901 -0.281 1.00 63.03 H new ATOM 0 HA ILE A 27 -10.909 -5.565 -1.753 1.00 60.02 H new ATOM 0 HB ILE A 27 -8.558 -7.426 -1.922 1.00 54.24 H new ATOM 0 HG12 ILE A 27 -8.822 -4.952 -0.174 1.00 73.42 H new ATOM 0 HG13 ILE A 27 -9.008 -6.592 0.413 1.00 73.42 H new ATOM 0 HG21 ILE A 27 -7.372 -5.311 -2.680 1.00 73.24 H new ATOM 0 HG22 ILE A 27 -8.703 -5.744 -3.779 1.00 73.24 H new ATOM 0 HG23 ILE A 27 -8.922 -4.440 -2.588 1.00 73.24 H new ATOM 0 HD11 ILE A 27 -6.722 -5.764 0.837 1.00 54.32 H new ATOM 0 HD12 ILE A 27 -6.687 -7.128 -0.306 1.00 54.32 H new ATOM 0 HD13 ILE A 27 -6.498 -5.462 -0.903 1.00 54.32 H new ATOM 395 N ALA A 28 -11.144 -6.245 -4.193 1.00 63.01 N ATOM 396 CA ALA A 28 -11.331 -6.537 -5.601 1.00 12.22 C ATOM 397 C ALA A 28 -10.038 -6.172 -6.337 1.00 41.11 C ATOM 398 O ALA A 28 -9.399 -7.033 -6.938 1.00 11.20 O ATOM 399 CB ALA A 28 -12.537 -5.759 -6.148 1.00 31.42 C ATOM 0 H ALA A 28 -11.230 -5.250 -3.986 1.00 63.01 H new ATOM 0 HA ALA A 28 -11.541 -7.596 -5.751 1.00 12.22 H new ATOM 0 HB1 ALA A 28 -12.667 -5.986 -7.206 1.00 31.42 H new ATOM 0 HB2 ALA A 28 -13.435 -6.048 -5.602 1.00 31.42 H new ATOM 0 HB3 ALA A 28 -12.366 -4.690 -6.025 1.00 31.42 H new ATOM 405 N THR A 29 -9.601 -4.917 -6.242 1.00 43.33 N ATOM 406 CA THR A 29 -8.530 -4.315 -7.041 1.00 12.23 C ATOM 407 C THR A 29 -7.514 -3.757 -6.034 1.00 23.41 C ATOM 408 O THR A 29 -7.865 -2.868 -5.254 1.00 12.43 O ATOM 409 CB THR A 29 -9.199 -3.276 -7.981 1.00 64.21 C ATOM 410 OG1 THR A 29 -10.138 -3.945 -8.806 1.00 12.11 O ATOM 411 CG2 THR A 29 -8.378 -2.380 -8.923 1.00 21.34 C ATOM 0 H THR A 29 -10.002 -4.259 -5.574 1.00 43.33 H new ATOM 0 HA THR A 29 -7.983 -4.996 -7.693 1.00 12.23 H new ATOM 0 HB THR A 29 -9.580 -2.573 -7.240 1.00 64.21 H new ATOM 0 HG1 THR A 29 -10.568 -3.298 -9.403 1.00 12.11 H new ATOM 0 HG21 THR A 29 -9.050 -1.732 -9.486 1.00 21.34 H new ATOM 0 HG22 THR A 29 -7.691 -1.770 -8.337 1.00 21.34 H new ATOM 0 HG23 THR A 29 -7.811 -3.003 -9.615 1.00 21.34 H new ATOM 419 N LEU A 30 -6.296 -4.330 -5.996 1.00 3.52 N ATOM 420 CA LEU A 30 -5.141 -3.858 -5.220 1.00 1.11 C ATOM 421 C LEU A 30 -4.012 -3.481 -6.181 1.00 55.55 C ATOM 422 O LEU A 30 -3.564 -4.320 -6.963 1.00 60.45 O ATOM 423 CB LEU A 30 -4.695 -4.933 -4.217 1.00 54.34 C ATOM 424 CG LEU A 30 -3.581 -4.465 -3.255 1.00 43.15 C ATOM 425 CD1 LEU A 30 -3.738 -5.171 -1.905 1.00 13.43 C ATOM 426 CD2 LEU A 30 -2.164 -4.742 -3.772 1.00 35.12 C ATOM 0 H LEU A 30 -6.084 -5.172 -6.531 1.00 3.52 H new ATOM 0 HA LEU A 30 -5.417 -2.974 -4.645 1.00 1.11 H new ATOM 0 HB2 LEU A 30 -5.558 -5.251 -3.632 1.00 54.34 H new ATOM 0 HB3 LEU A 30 -4.344 -5.806 -4.767 1.00 54.34 H new ATOM 0 HG LEU A 30 -3.696 -3.385 -3.165 1.00 43.15 H new ATOM 0 HD11 LEU A 30 -2.951 -4.840 -1.227 1.00 13.43 H new ATOM 0 HD12 LEU A 30 -4.711 -4.927 -1.478 1.00 13.43 H new ATOM 0 HD13 LEU A 30 -3.664 -6.249 -2.047 1.00 13.43 H new ATOM 0 HD21 LEU A 30 -1.435 -4.386 -3.044 1.00 35.12 H new ATOM 0 HD22 LEU A 30 -2.034 -5.814 -3.921 1.00 35.12 H new ATOM 0 HD23 LEU A 30 -2.014 -4.223 -4.719 1.00 35.12 H new ATOM 437 N TYR A 31 -3.603 -2.209 -6.185 1.00 75.35 N ATOM 438 CA TYR A 31 -2.632 -1.626 -7.108 1.00 34.01 C ATOM 439 C TYR A 31 -1.964 -0.474 -6.373 1.00 34.31 C ATOM 440 O TYR A 31 -2.213 -0.266 -5.181 1.00 34.33 O ATOM 441 CB TYR A 31 -3.265 -1.147 -8.436 1.00 63.14 C ATOM 442 CG TYR A 31 -4.029 0.179 -8.473 1.00 22.30 C ATOM 443 CD1 TYR A 31 -4.921 0.569 -7.451 1.00 23.20 C ATOM 444 CD2 TYR A 31 -3.884 1.012 -9.598 1.00 2.31 C ATOM 445 CE1 TYR A 31 -5.713 1.723 -7.581 1.00 71.41 C ATOM 446 CE2 TYR A 31 -4.669 2.171 -9.737 1.00 15.40 C ATOM 447 CZ TYR A 31 -5.608 2.521 -8.740 1.00 21.01 C ATOM 448 OH TYR A 31 -6.395 3.617 -8.910 1.00 3.30 O ATOM 0 H TYR A 31 -3.958 -1.529 -5.513 1.00 75.35 H new ATOM 0 HA TYR A 31 -1.909 -2.387 -7.400 1.00 34.01 H new ATOM 0 HB2 TYR A 31 -2.466 -1.084 -9.174 1.00 63.14 H new ATOM 0 HB3 TYR A 31 -3.948 -1.927 -8.772 1.00 63.14 H new ATOM 0 HD1 TYR A 31 -4.996 -0.029 -6.555 1.00 23.20 H new ATOM 0 HD2 TYR A 31 -3.163 0.759 -10.362 1.00 2.31 H new ATOM 0 HE1 TYR A 31 -6.401 1.998 -6.795 1.00 71.41 H new ATOM 0 HE2 TYR A 31 -4.554 2.797 -10.610 1.00 15.40 H new ATOM 0 HH TYR A 31 -6.182 4.043 -9.766 1.00 3.30 H new ATOM 457 N VAL A 32 -1.134 0.285 -7.076 1.00 3.54 N ATOM 458 CA VAL A 32 -0.439 1.420 -6.512 1.00 20.14 C ATOM 459 C VAL A 32 -0.497 2.514 -7.563 1.00 3.32 C ATOM 460 O VAL A 32 -0.197 2.257 -8.728 1.00 44.43 O ATOM 461 CB VAL A 32 1.015 1.010 -6.201 1.00 51.52 C ATOM 462 CG1 VAL A 32 1.743 2.068 -5.390 1.00 20.13 C ATOM 463 CG2 VAL A 32 1.132 -0.325 -5.451 1.00 20.02 C ATOM 0 H VAL A 32 -0.927 0.124 -8.062 1.00 3.54 H new ATOM 0 HA VAL A 32 -0.887 1.769 -5.581 1.00 20.14 H new ATOM 0 HB VAL A 32 1.478 0.899 -7.182 1.00 51.52 H new ATOM 0 HG11 VAL A 32 2.763 1.738 -5.194 1.00 20.13 H new ATOM 0 HG12 VAL A 32 1.765 3.003 -5.949 1.00 20.13 H new ATOM 0 HG13 VAL A 32 1.224 2.223 -4.444 1.00 20.13 H new ATOM 0 HG21 VAL A 32 2.183 -0.548 -5.267 1.00 20.02 H new ATOM 0 HG22 VAL A 32 0.604 -0.256 -4.500 1.00 20.02 H new ATOM 0 HG23 VAL A 32 0.692 -1.120 -6.053 1.00 20.02 H new ATOM 473 N GLN A 33 -0.885 3.732 -7.197 1.00 73.24 N ATOM 474 CA GLN A 33 -0.855 4.849 -8.141 1.00 31.21 C ATOM 475 C GLN A 33 0.495 5.577 -8.134 1.00 62.14 C ATOM 476 O GLN A 33 0.715 6.429 -9.000 1.00 31.11 O ATOM 477 CB GLN A 33 -2.032 5.793 -7.874 1.00 42.34 C ATOM 478 CG GLN A 33 -3.368 5.106 -8.197 1.00 32.12 C ATOM 479 CD GLN A 33 -4.494 6.121 -8.334 1.00 42.52 C ATOM 480 OE1 GLN A 33 -4.555 6.851 -9.325 1.00 51.13 O ATOM 481 NE2 GLN A 33 -5.402 6.190 -7.382 1.00 43.24 N ATOM 0 H GLN A 33 -1.221 3.971 -6.264 1.00 73.24 H new ATOM 0 HA GLN A 33 -0.967 4.449 -9.149 1.00 31.21 H new ATOM 0 HB2 GLN A 33 -2.023 6.107 -6.830 1.00 42.34 H new ATOM 0 HB3 GLN A 33 -1.926 6.694 -8.479 1.00 42.34 H new ATOM 0 HG2 GLN A 33 -3.273 4.538 -9.123 1.00 32.12 H new ATOM 0 HG3 GLN A 33 -3.612 4.393 -7.410 1.00 32.12 H new ATOM 0 HE21 GLN A 33 -5.336 5.578 -6.569 1.00 43.24 H new ATOM 0 HE22 GLN A 33 -6.171 6.855 -7.458 1.00 43.24 H new ATOM 488 N VAL A 34 1.400 5.230 -7.214 1.00 40.43 N ATOM 489 CA VAL A 34 2.664 5.912 -6.944 1.00 43.15 C ATOM 490 C VAL A 34 3.587 4.928 -6.204 1.00 63.25 C ATOM 491 O VAL A 34 3.373 4.631 -5.031 1.00 63.02 O ATOM 492 CB VAL A 34 2.433 7.218 -6.138 1.00 53.24 C ATOM 493 CG1 VAL A 34 2.125 8.428 -7.036 1.00 12.10 C ATOM 494 CG2 VAL A 34 1.296 7.116 -5.109 1.00 33.10 C ATOM 0 H VAL A 34 1.261 4.422 -6.607 1.00 40.43 H new ATOM 0 HA VAL A 34 3.138 6.215 -7.878 1.00 43.15 H new ATOM 0 HB VAL A 34 3.380 7.363 -5.619 1.00 53.24 H new ATOM 0 HG11 VAL A 34 1.973 9.312 -6.416 1.00 12.10 H new ATOM 0 HG12 VAL A 34 2.961 8.600 -7.714 1.00 12.10 H new ATOM 0 HG13 VAL A 34 1.223 8.231 -7.615 1.00 12.10 H new ATOM 0 HG21 VAL A 34 1.194 8.066 -4.585 1.00 33.10 H new ATOM 0 HG22 VAL A 34 0.362 6.881 -5.620 1.00 33.10 H new ATOM 0 HG23 VAL A 34 1.525 6.328 -4.391 1.00 33.10 H new ATOM 504 N TYR A 35 4.550 4.335 -6.916 1.00 52.15 N ATOM 505 CA TYR A 35 5.616 3.522 -6.335 1.00 14.23 C ATOM 506 C TYR A 35 6.798 4.451 -6.088 1.00 43.31 C ATOM 507 O TYR A 35 7.387 4.965 -7.043 1.00 34.10 O ATOM 508 CB TYR A 35 5.994 2.379 -7.296 1.00 11.44 C ATOM 509 CG TYR A 35 7.344 1.694 -7.078 1.00 23.42 C ATOM 510 CD1 TYR A 35 7.890 1.495 -5.790 1.00 13.41 C ATOM 511 CD2 TYR A 35 8.068 1.249 -8.202 1.00 53.22 C ATOM 512 CE1 TYR A 35 9.149 0.884 -5.631 1.00 75.35 C ATOM 513 CE2 TYR A 35 9.315 0.617 -8.047 1.00 75.14 C ATOM 514 CZ TYR A 35 9.860 0.427 -6.763 1.00 73.01 C ATOM 515 OH TYR A 35 11.042 -0.238 -6.644 1.00 74.31 O ATOM 0 H TYR A 35 4.609 4.410 -7.932 1.00 52.15 H new ATOM 0 HA TYR A 35 5.299 3.060 -5.400 1.00 14.23 H new ATOM 0 HB2 TYR A 35 5.216 1.618 -7.236 1.00 11.44 H new ATOM 0 HB3 TYR A 35 5.977 2.773 -8.312 1.00 11.44 H new ATOM 0 HD1 TYR A 35 7.337 1.814 -4.919 1.00 13.41 H new ATOM 0 HD2 TYR A 35 7.662 1.395 -9.192 1.00 53.22 H new ATOM 0 HE1 TYR A 35 9.571 0.765 -4.644 1.00 75.35 H new ATOM 0 HE2 TYR A 35 9.857 0.276 -8.917 1.00 75.14 H new ATOM 0 HH TYR A 35 11.377 -0.472 -7.535 1.00 74.31 H new ATOM 524 N GLU A 36 7.145 4.673 -4.821 1.00 41.24 N ATOM 525 CA GLU A 36 8.378 5.364 -4.490 1.00 72.24 C ATOM 526 C GLU A 36 9.514 4.354 -4.584 1.00 15.31 C ATOM 527 O GLU A 36 9.633 3.460 -3.747 1.00 13.40 O ATOM 528 CB GLU A 36 8.265 5.984 -3.096 1.00 0.44 C ATOM 529 CG GLU A 36 7.986 7.497 -3.122 1.00 44.43 C ATOM 530 CD GLU A 36 7.021 7.972 -4.216 1.00 33.22 C ATOM 531 OE1 GLU A 36 5.846 7.560 -4.217 1.00 1.10 O ATOM 532 OE2 GLU A 36 7.458 8.821 -5.036 1.00 72.34 O ATOM 0 H GLU A 36 6.590 4.384 -4.015 1.00 41.24 H new ATOM 0 HA GLU A 36 8.576 6.182 -5.183 1.00 72.24 H new ATOM 0 HB2 GLU A 36 7.467 5.484 -2.548 1.00 0.44 H new ATOM 0 HB3 GLU A 36 9.190 5.802 -2.549 1.00 0.44 H new ATOM 0 HG2 GLU A 36 7.582 7.791 -2.153 1.00 44.43 H new ATOM 0 HG3 GLU A 36 8.934 8.021 -3.245 1.00 44.43 H new ATOM 537 N SER A 37 10.348 4.488 -5.609 1.00 44.25 N ATOM 538 CA SER A 37 11.517 3.646 -5.818 1.00 72.43 C ATOM 539 C SER A 37 12.725 4.084 -4.966 1.00 20.22 C ATOM 540 O SER A 37 13.661 3.297 -4.775 1.00 62.15 O ATOM 541 CB SER A 37 11.816 3.654 -7.320 1.00 71.31 C ATOM 542 OG SER A 37 11.894 4.991 -7.781 1.00 64.04 O ATOM 0 H SER A 37 10.227 5.199 -6.331 1.00 44.25 H new ATOM 0 HA SER A 37 11.311 2.629 -5.484 1.00 72.43 H new ATOM 0 HB2 SER A 37 12.754 3.135 -7.517 1.00 71.31 H new ATOM 0 HB3 SER A 37 11.035 3.117 -7.859 1.00 71.31 H new ATOM 0 HG SER A 37 12.087 4.995 -8.742 1.00 64.04 H new ATOM 547 N SER A 38 12.698 5.305 -4.414 1.00 61.33 N ATOM 548 CA SER A 38 13.785 5.903 -3.634 1.00 73.43 C ATOM 549 C SER A 38 13.371 6.337 -2.222 1.00 73.44 C ATOM 550 O SER A 38 14.238 6.502 -1.361 1.00 51.11 O ATOM 551 CB SER A 38 14.358 7.089 -4.413 1.00 73.01 C ATOM 552 OG SER A 38 15.276 6.634 -5.392 1.00 60.33 O ATOM 0 H SER A 38 11.891 5.922 -4.502 1.00 61.33 H new ATOM 0 HA SER A 38 14.541 5.131 -3.490 1.00 73.43 H new ATOM 0 HB2 SER A 38 13.551 7.644 -4.891 1.00 73.01 H new ATOM 0 HB3 SER A 38 14.856 7.776 -3.729 1.00 73.01 H new ATOM 0 HG SER A 38 15.635 7.401 -5.885 1.00 60.33 H new ATOM 557 N LEU A 39 12.072 6.465 -1.950 1.00 12.44 N ATOM 558 CA LEU A 39 11.531 6.493 -0.592 1.00 21.30 C ATOM 559 C LEU A 39 10.904 5.123 -0.351 1.00 23.22 C ATOM 560 O LEU A 39 11.121 4.196 -1.135 1.00 15.51 O ATOM 561 CB LEU A 39 10.539 7.656 -0.387 1.00 63.13 C ATOM 562 CG LEU A 39 11.087 9.049 -0.745 1.00 4.31 C ATOM 563 CD1 LEU A 39 9.984 10.091 -0.552 1.00 1.13 C ATOM 564 CD2 LEU A 39 12.299 9.431 0.115 1.00 72.33 C ATOM 0 H LEU A 39 11.359 6.553 -2.674 1.00 12.44 H new ATOM 0 HA LEU A 39 12.316 6.680 0.140 1.00 21.30 H new ATOM 0 HB2 LEU A 39 9.650 7.466 -0.989 1.00 63.13 H new ATOM 0 HB3 LEU A 39 10.222 7.664 0.656 1.00 63.13 H new ATOM 0 HG LEU A 39 11.412 9.021 -1.785 1.00 4.31 H new ATOM 0 HD11 LEU A 39 10.369 11.079 -0.805 1.00 1.13 H new ATOM 0 HD12 LEU A 39 9.141 9.853 -1.201 1.00 1.13 H new ATOM 0 HD13 LEU A 39 9.655 10.085 0.487 1.00 1.13 H new ATOM 0 HD21 LEU A 39 12.652 10.421 -0.173 1.00 72.33 H new ATOM 0 HD22 LEU A 39 12.011 9.440 1.166 1.00 72.33 H new ATOM 0 HD23 LEU A 39 13.096 8.704 -0.037 1.00 72.33 H new ATOM 575 N GLU A 40 10.116 4.974 0.707 1.00 32.42 N ATOM 576 CA GLU A 40 9.430 3.742 1.036 1.00 42.15 C ATOM 577 C GLU A 40 7.991 4.139 1.371 1.00 43.54 C ATOM 578 O GLU A 40 7.650 4.413 2.525 1.00 40.34 O ATOM 579 CB GLU A 40 10.171 2.940 2.128 1.00 43.44 C ATOM 580 CG GLU A 40 11.702 2.871 2.002 1.00 1.52 C ATOM 581 CD GLU A 40 12.426 3.963 2.803 1.00 21.02 C ATOM 582 OE1 GLU A 40 12.752 3.694 3.982 1.00 72.13 O ATOM 583 OE2 GLU A 40 12.747 5.046 2.252 1.00 33.24 O ATOM 0 H GLU A 40 9.936 5.727 1.372 1.00 32.42 H new ATOM 0 HA GLU A 40 9.415 3.038 0.204 1.00 42.15 H new ATOM 0 HB2 GLU A 40 9.927 3.375 3.097 1.00 43.44 H new ATOM 0 HB3 GLU A 40 9.782 1.922 2.128 1.00 43.44 H new ATOM 0 HG2 GLU A 40 12.044 1.893 2.342 1.00 1.52 H new ATOM 0 HG3 GLU A 40 11.978 2.958 0.951 1.00 1.52 H new ATOM 588 N SER A 41 7.190 4.289 0.316 1.00 33.43 N ATOM 589 CA SER A 41 5.814 4.769 0.330 1.00 23.04 C ATOM 590 C SER A 41 4.978 3.839 -0.544 1.00 63.42 C ATOM 591 O SER A 41 5.455 3.384 -1.587 1.00 40.15 O ATOM 592 CB SER A 41 5.796 6.196 -0.238 1.00 42.43 C ATOM 593 OG SER A 41 4.514 6.779 -0.336 1.00 60.14 O ATOM 0 H SER A 41 7.507 4.064 -0.627 1.00 33.43 H new ATOM 0 HA SER A 41 5.406 4.779 1.341 1.00 23.04 H new ATOM 0 HB2 SER A 41 6.421 6.830 0.391 1.00 42.43 H new ATOM 0 HB3 SER A 41 6.250 6.183 -1.229 1.00 42.43 H new ATOM 0 HG SER A 41 4.593 7.684 -0.704 1.00 60.14 H new ATOM 598 N LEU A 42 3.727 3.608 -0.148 1.00 53.11 N ATOM 599 CA LEU A 42 2.728 2.879 -0.918 1.00 62.34 C ATOM 600 C LEU A 42 1.427 3.654 -0.778 1.00 62.22 C ATOM 601 O LEU A 42 0.877 3.708 0.324 1.00 0.12 O ATOM 602 CB LEU A 42 2.603 1.440 -0.380 1.00 42.13 C ATOM 603 CG LEU A 42 1.873 0.419 -1.280 1.00 3.52 C ATOM 604 CD1 LEU A 42 0.448 0.821 -1.683 1.00 13.14 C ATOM 605 CD2 LEU A 42 2.678 0.042 -2.518 1.00 0.31 C ATOM 0 H LEU A 42 3.372 3.936 0.750 1.00 53.11 H new ATOM 0 HA LEU A 42 3.000 2.796 -1.970 1.00 62.34 H new ATOM 0 HB2 LEU A 42 3.607 1.063 -0.184 1.00 42.13 H new ATOM 0 HB3 LEU A 42 2.084 1.480 0.578 1.00 42.13 H new ATOM 0 HG LEU A 42 1.779 -0.459 -0.641 1.00 3.52 H new ATOM 0 HD11 LEU A 42 0.015 0.044 -2.313 1.00 13.14 H new ATOM 0 HD12 LEU A 42 -0.162 0.944 -0.788 1.00 13.14 H new ATOM 0 HD13 LEU A 42 0.477 1.761 -2.234 1.00 13.14 H new ATOM 0 HD21 LEU A 42 2.116 -0.678 -3.112 1.00 0.31 H new ATOM 0 HD22 LEU A 42 2.868 0.935 -3.114 1.00 0.31 H new ATOM 0 HD23 LEU A 42 3.627 -0.401 -2.214 1.00 0.31 H new ATOM 616 N VAL A 43 0.951 4.269 -1.864 1.00 3.11 N ATOM 617 CA VAL A 43 -0.328 4.977 -1.909 1.00 20.22 C ATOM 618 C VAL A 43 -1.046 4.591 -3.215 1.00 52.45 C ATOM 619 O VAL A 43 -0.427 4.092 -4.167 1.00 75.32 O ATOM 620 CB VAL A 43 -0.097 6.502 -1.737 1.00 3.20 C ATOM 621 CG1 VAL A 43 -1.410 7.270 -1.526 1.00 1.54 C ATOM 622 CG2 VAL A 43 0.827 6.840 -0.558 1.00 34.42 C ATOM 0 H VAL A 43 1.454 4.288 -2.751 1.00 3.11 H new ATOM 0 HA VAL A 43 -0.978 4.688 -1.084 1.00 20.22 H new ATOM 0 HB VAL A 43 0.375 6.810 -2.670 1.00 3.20 H new ATOM 0 HG11 VAL A 43 -1.196 8.332 -1.411 1.00 1.54 H new ATOM 0 HG12 VAL A 43 -2.060 7.122 -2.388 1.00 1.54 H new ATOM 0 HG13 VAL A 43 -1.907 6.901 -0.629 1.00 1.54 H new ATOM 0 HG21 VAL A 43 0.950 7.921 -0.490 1.00 34.42 H new ATOM 0 HG22 VAL A 43 0.388 6.466 0.367 1.00 34.42 H new ATOM 0 HG23 VAL A 43 1.800 6.374 -0.713 1.00 34.42 H new ATOM 632 N GLY A 44 -2.364 4.787 -3.275 1.00 53.21 N ATOM 633 CA GLY A 44 -3.186 4.395 -4.413 1.00 55.52 C ATOM 634 C GLY A 44 -4.539 3.823 -4.021 1.00 35.12 C ATOM 635 O GLY A 44 -5.361 3.618 -4.913 1.00 20.43 O ATOM 0 H GLY A 44 -2.894 5.228 -2.523 1.00 53.21 H new ATOM 0 HA2 GLY A 44 -3.340 5.263 -5.055 1.00 55.52 H new ATOM 0 HA3 GLY A 44 -2.645 3.655 -5.003 1.00 55.52 H new ATOM 639 N GLY A 45 -4.770 3.542 -2.731 1.00 71.14 N ATOM 640 CA GLY A 45 -5.941 2.831 -2.265 1.00 75.21 C ATOM 641 C GLY A 45 -6.167 1.436 -2.859 1.00 35.03 C ATOM 642 O GLY A 45 -5.325 0.890 -3.578 1.00 52.55 O ATOM 0 H GLY A 45 -4.133 3.811 -1.982 1.00 71.14 H new ATOM 0 HA2 GLY A 45 -5.875 2.735 -1.181 1.00 75.21 H new ATOM 0 HA3 GLY A 45 -6.819 3.440 -2.478 1.00 75.21 H new ATOM 646 N VAL A 46 -7.293 0.820 -2.485 1.00 42.43 N ATOM 647 CA VAL A 46 -7.822 -0.418 -3.054 1.00 60.11 C ATOM 648 C VAL A 46 -9.342 -0.317 -3.139 1.00 0.21 C ATOM 649 O VAL A 46 -9.950 0.390 -2.334 1.00 31.42 O ATOM 650 CB VAL A 46 -7.421 -1.662 -2.220 1.00 60.31 C ATOM 651 CG1 VAL A 46 -5.915 -1.795 -1.984 1.00 44.35 C ATOM 652 CG2 VAL A 46 -8.125 -1.726 -0.859 1.00 13.20 C ATOM 0 H VAL A 46 -7.886 1.190 -1.742 1.00 42.43 H new ATOM 0 HA VAL A 46 -7.393 -0.544 -4.048 1.00 60.11 H new ATOM 0 HB VAL A 46 -7.750 -2.494 -2.842 1.00 60.31 H new ATOM 0 HG11 VAL A 46 -5.717 -2.689 -1.393 1.00 44.35 H new ATOM 0 HG12 VAL A 46 -5.402 -1.872 -2.943 1.00 44.35 H new ATOM 0 HG13 VAL A 46 -5.552 -0.918 -1.448 1.00 44.35 H new ATOM 0 HG21 VAL A 46 -7.802 -2.619 -0.324 1.00 13.20 H new ATOM 0 HG22 VAL A 46 -7.870 -0.841 -0.275 1.00 13.20 H new ATOM 0 HG23 VAL A 46 -9.204 -1.763 -1.009 1.00 13.20 H new ATOM 662 N ILE A 47 -9.950 -1.059 -4.061 1.00 63.14 N ATOM 663 CA ILE A 47 -11.394 -1.161 -4.238 1.00 21.12 C ATOM 664 C ILE A 47 -11.801 -2.548 -3.746 1.00 75.42 C ATOM 665 O ILE A 47 -11.066 -3.503 -3.999 1.00 21.32 O ATOM 666 CB ILE A 47 -11.751 -0.946 -5.728 1.00 3.33 C ATOM 667 CG1 ILE A 47 -11.279 0.427 -6.265 1.00 64.35 C ATOM 668 CG2 ILE A 47 -13.259 -1.101 -5.960 1.00 73.44 C ATOM 669 CD1 ILE A 47 -9.939 0.383 -7.010 1.00 22.13 C ATOM 0 H ILE A 47 -9.430 -1.627 -4.730 1.00 63.14 H new ATOM 0 HA ILE A 47 -11.931 -0.399 -3.672 1.00 21.12 H new ATOM 0 HB ILE A 47 -11.217 -1.718 -6.283 1.00 3.33 H new ATOM 0 HG12 ILE A 47 -12.042 0.824 -6.935 1.00 64.35 H new ATOM 0 HG13 ILE A 47 -11.195 1.122 -5.430 1.00 64.35 H new ATOM 0 HG21 ILE A 47 -13.483 -0.945 -7.015 1.00 73.44 H new ATOM 0 HG22 ILE A 47 -13.571 -2.104 -5.667 1.00 73.44 H new ATOM 0 HG23 ILE A 47 -13.797 -0.365 -5.362 1.00 73.44 H new ATOM 0 HD11 ILE A 47 -9.681 1.385 -7.353 1.00 22.13 H new ATOM 0 HD12 ILE A 47 -9.162 0.018 -6.339 1.00 22.13 H new ATOM 0 HD13 ILE A 47 -10.021 -0.285 -7.868 1.00 22.13 H new ATOM 680 N PHE A 48 -12.956 -2.673 -3.091 1.00 54.13 N ATOM 681 CA PHE A 48 -13.565 -3.926 -2.634 1.00 21.44 C ATOM 682 C PHE A 48 -14.774 -4.269 -3.504 1.00 63.42 C ATOM 683 O PHE A 48 -15.311 -3.397 -4.183 1.00 41.23 O ATOM 684 CB PHE A 48 -14.059 -3.756 -1.191 1.00 4.33 C ATOM 685 CG PHE A 48 -13.056 -3.991 -0.075 1.00 51.24 C ATOM 686 CD1 PHE A 48 -11.771 -3.419 -0.102 1.00 74.15 C ATOM 687 CD2 PHE A 48 -13.444 -4.750 1.045 1.00 44.25 C ATOM 688 CE1 PHE A 48 -10.877 -3.646 0.955 1.00 51.43 C ATOM 689 CE2 PHE A 48 -12.560 -4.954 2.112 1.00 64.01 C ATOM 690 CZ PHE A 48 -11.266 -4.427 2.055 1.00 42.15 C ATOM 0 H PHE A 48 -13.523 -1.860 -2.851 1.00 54.13 H new ATOM 0 HA PHE A 48 -12.819 -4.718 -2.698 1.00 21.44 H new ATOM 0 HB2 PHE A 48 -14.448 -2.743 -1.086 1.00 4.33 H new ATOM 0 HB3 PHE A 48 -14.897 -4.437 -1.040 1.00 4.33 H new ATOM 0 HD1 PHE A 48 -11.472 -2.804 -0.938 1.00 74.15 H new ATOM 0 HD2 PHE A 48 -14.434 -5.180 1.082 1.00 44.25 H new ATOM 0 HE1 PHE A 48 -9.886 -3.218 0.922 1.00 51.43 H new ATOM 0 HE2 PHE A 48 -12.877 -5.517 2.977 1.00 64.01 H new ATOM 0 HZ PHE A 48 -10.567 -4.620 2.855 1.00 42.15 H new ATOM 699 N GLU A 49 -15.250 -5.510 -3.428 1.00 62.25 N ATOM 700 CA GLU A 49 -16.469 -5.962 -4.100 1.00 40.42 C ATOM 701 C GLU A 49 -17.722 -5.310 -3.495 1.00 64.11 C ATOM 702 O GLU A 49 -18.588 -4.846 -4.233 1.00 41.22 O ATOM 703 CB GLU A 49 -16.537 -7.494 -4.066 1.00 24.13 C ATOM 704 CG GLU A 49 -16.047 -8.128 -5.382 1.00 12.13 C ATOM 705 CD GLU A 49 -17.182 -8.383 -6.385 1.00 60.33 C ATOM 706 OE1 GLU A 49 -18.061 -7.513 -6.596 1.00 31.11 O ATOM 707 OE2 GLU A 49 -17.199 -9.466 -7.013 1.00 43.44 O ATOM 0 H GLU A 49 -14.792 -6.244 -2.888 1.00 62.25 H new ATOM 0 HA GLU A 49 -16.437 -5.646 -5.143 1.00 40.42 H new ATOM 0 HB2 GLU A 49 -15.932 -7.865 -3.239 1.00 24.13 H new ATOM 0 HB3 GLU A 49 -17.564 -7.806 -3.875 1.00 24.13 H new ATOM 0 HG2 GLU A 49 -15.305 -7.474 -5.840 1.00 12.13 H new ATOM 0 HG3 GLU A 49 -15.547 -9.071 -5.160 1.00 12.13 H new ATOM 712 N ASP A 50 -17.787 -5.160 -2.169 1.00 32.03 N ATOM 713 CA ASP A 50 -18.954 -4.650 -1.429 1.00 74.24 C ATOM 714 C ASP A 50 -18.981 -3.112 -1.445 1.00 33.00 C ATOM 715 O ASP A 50 -19.570 -2.462 -0.577 1.00 60.11 O ATOM 716 CB ASP A 50 -18.974 -5.208 0.007 1.00 31.51 C ATOM 717 CG ASP A 50 -19.597 -6.600 0.138 1.00 15.12 C ATOM 718 OD1 ASP A 50 -19.229 -7.520 -0.615 1.00 12.01 O ATOM 719 OD2 ASP A 50 -20.379 -6.811 1.099 1.00 61.53 O ATOM 0 H ASP A 50 -17.006 -5.397 -1.558 1.00 32.03 H new ATOM 0 HA ASP A 50 -19.859 -4.996 -1.927 1.00 74.24 H new ATOM 0 HB2 ASP A 50 -17.952 -5.244 0.384 1.00 31.51 H new ATOM 0 HB3 ASP A 50 -19.524 -4.516 0.645 1.00 31.51 H new ATOM 723 N GLY A 51 -18.292 -2.508 -2.410 1.00 61.35 N ATOM 724 CA GLY A 51 -18.204 -1.079 -2.620 1.00 75.01 C ATOM 725 C GLY A 51 -17.486 -0.378 -1.471 1.00 60.11 C ATOM 726 O GLY A 51 -18.053 0.489 -0.803 1.00 63.11 O ATOM 0 H GLY A 51 -17.755 -3.036 -3.098 1.00 61.35 H new ATOM 0 HA2 GLY A 51 -17.676 -0.881 -3.553 1.00 75.01 H new ATOM 0 HA3 GLY A 51 -19.207 -0.665 -2.728 1.00 75.01 H new ATOM 730 N ARG A 52 -16.229 -0.753 -1.221 1.00 53.12 N ATOM 731 CA ARG A 52 -15.440 -0.256 -0.094 1.00 40.42 C ATOM 732 C ARG A 52 -14.099 0.215 -0.661 1.00 73.44 C ATOM 733 O ARG A 52 -13.192 -0.595 -0.848 1.00 20.10 O ATOM 734 CB ARG A 52 -15.331 -1.254 1.080 1.00 55.44 C ATOM 735 CG ARG A 52 -16.566 -2.148 1.259 1.00 74.31 C ATOM 736 CD ARG A 52 -16.365 -3.239 2.324 1.00 21.44 C ATOM 737 NE ARG A 52 -16.930 -2.841 3.617 1.00 21.43 N ATOM 738 CZ ARG A 52 -18.148 -3.128 4.089 1.00 15.42 C ATOM 739 NH1 ARG A 52 -18.927 -4.050 3.534 1.00 75.53 N ATOM 740 NH2 ARG A 52 -18.575 -2.456 5.145 1.00 73.32 N ATOM 0 H ARG A 52 -15.725 -1.420 -1.805 1.00 53.12 H new ATOM 0 HA ARG A 52 -15.946 0.586 0.379 1.00 40.42 H new ATOM 0 HB2 ARG A 52 -14.457 -1.887 0.925 1.00 55.44 H new ATOM 0 HB3 ARG A 52 -15.162 -0.697 2.002 1.00 55.44 H new ATOM 0 HG2 ARG A 52 -17.419 -1.529 1.537 1.00 74.31 H new ATOM 0 HG3 ARG A 52 -16.810 -2.618 0.306 1.00 74.31 H new ATOM 0 HD2 ARG A 52 -16.834 -4.165 1.991 1.00 21.44 H new ATOM 0 HD3 ARG A 52 -15.301 -3.444 2.439 1.00 21.44 H new ATOM 0 HE ARG A 52 -16.328 -2.284 4.223 1.00 21.43 H new ATOM 0 HH11 ARG A 52 -18.602 -4.568 2.718 1.00 75.53 H new ATOM 0 HH12 ARG A 52 -19.850 -4.240 3.924 1.00 75.53 H new ATOM 0 HH21 ARG A 52 -17.981 -1.746 5.572 1.00 73.32 H new ATOM 0 HH22 ARG A 52 -19.499 -2.648 5.532 1.00 73.32 H new ATOM 751 N HIS A 53 -14.001 1.477 -1.066 1.00 71.45 N ATOM 752 CA HIS A 53 -12.787 2.037 -1.655 1.00 34.00 C ATOM 753 C HIS A 53 -12.008 2.685 -0.516 1.00 1.20 C ATOM 754 O HIS A 53 -12.575 3.497 0.208 1.00 60.44 O ATOM 755 CB HIS A 53 -13.167 3.050 -2.745 1.00 11.23 C ATOM 756 CG HIS A 53 -12.113 3.417 -3.772 1.00 64.41 C ATOM 757 ND1 HIS A 53 -10.776 3.099 -3.811 1.00 51.43 N flip ATOM 758 CD2 HIS A 53 -12.367 4.222 -4.859 1.00 1.13 C flip ATOM 759 CE1 HIS A 53 -10.228 3.689 -4.958 1.00 2.13 C flip ATOM 760 NE2 HIS A 53 -11.228 4.367 -5.550 1.00 61.35 N flip ATOM 0 H HIS A 53 -14.767 2.146 -0.995 1.00 71.45 H new ATOM 0 HA HIS A 53 -12.171 1.276 -2.133 1.00 34.00 H new ATOM 0 HB2 HIS A 53 -14.032 2.657 -3.279 1.00 11.23 H new ATOM 0 HB3 HIS A 53 -13.487 3.968 -2.252 1.00 11.23 H new ATOM 0 HD1 HIS A 53 -10.273 2.534 -3.127 1.00 51.43 H new ATOM 0 HD2 HIS A 53 -13.321 4.661 -5.112 1.00 1.13 H new ATOM 0 HE1 HIS A 53 -9.206 3.614 -5.299 1.00 2.13 H new ATOM 767 N TYR A 54 -10.736 2.343 -0.315 1.00 53.51 N ATOM 768 CA TYR A 54 -9.978 2.800 0.848 1.00 53.21 C ATOM 769 C TYR A 54 -8.608 3.287 0.436 1.00 12.13 C ATOM 770 O TYR A 54 -7.898 2.565 -0.254 1.00 41.25 O ATOM 771 CB TYR A 54 -9.792 1.640 1.816 1.00 51.12 C ATOM 772 CG TYR A 54 -11.053 1.212 2.529 1.00 21.13 C ATOM 773 CD1 TYR A 54 -11.612 2.113 3.440 1.00 33.10 C ATOM 774 CD2 TYR A 54 -11.649 -0.048 2.335 1.00 64.13 C ATOM 775 CE1 TYR A 54 -12.767 1.792 4.161 1.00 13.54 C ATOM 776 CE2 TYR A 54 -12.783 -0.404 3.092 1.00 12.52 C ATOM 777 CZ TYR A 54 -13.361 0.529 3.991 1.00 72.42 C ATOM 778 OH TYR A 54 -14.475 0.222 4.705 1.00 52.54 O ATOM 0 H TYR A 54 -10.205 1.746 -0.949 1.00 53.51 H new ATOM 0 HA TYR A 54 -10.530 3.615 1.316 1.00 53.21 H new ATOM 0 HB2 TYR A 54 -9.392 0.787 1.268 1.00 51.12 H new ATOM 0 HB3 TYR A 54 -9.046 1.920 2.560 1.00 51.12 H new ATOM 0 HD1 TYR A 54 -11.144 3.075 3.590 1.00 33.10 H new ATOM 0 HD2 TYR A 54 -11.240 -0.737 1.611 1.00 64.13 H new ATOM 0 HE1 TYR A 54 -13.199 2.509 4.843 1.00 13.54 H new ATOM 0 HE2 TYR A 54 -13.213 -1.389 2.988 1.00 12.52 H new ATOM 0 HH TYR A 54 -14.769 -0.685 4.478 1.00 52.54 H new ATOM 787 N THR A 55 -8.197 4.460 0.908 1.00 54.45 N ATOM 788 CA THR A 55 -6.929 5.101 0.564 1.00 51.21 C ATOM 789 C THR A 55 -5.847 4.729 1.577 1.00 53.55 C ATOM 790 O THR A 55 -5.461 5.532 2.431 1.00 74.22 O ATOM 791 CB THR A 55 -7.141 6.619 0.477 1.00 11.44 C ATOM 792 OG1 THR A 55 -7.982 7.050 1.537 1.00 54.33 O ATOM 793 CG2 THR A 55 -7.826 6.979 -0.830 1.00 51.35 C ATOM 0 H THR A 55 -8.754 5.010 1.562 1.00 54.45 H new ATOM 0 HA THR A 55 -6.585 4.747 -0.408 1.00 51.21 H new ATOM 0 HB THR A 55 -6.166 7.102 0.539 1.00 11.44 H new ATOM 0 HG1 THR A 55 -8.112 8.019 1.478 1.00 54.33 H new ATOM 0 HG21 THR A 55 -7.971 8.058 -0.880 1.00 51.35 H new ATOM 0 HG22 THR A 55 -7.206 6.657 -1.667 1.00 51.35 H new ATOM 0 HG23 THR A 55 -8.794 6.480 -0.883 1.00 51.35 H new ATOM 801 N PHE A 56 -5.351 3.494 1.481 1.00 41.51 N ATOM 802 CA PHE A 56 -4.148 3.103 2.200 1.00 32.40 C ATOM 803 C PHE A 56 -2.992 4.019 1.815 1.00 14.10 C ATOM 804 O PHE A 56 -2.758 4.281 0.631 1.00 42.31 O ATOM 805 CB PHE A 56 -3.794 1.629 1.929 1.00 33.10 C ATOM 806 CG PHE A 56 -4.075 0.642 3.052 1.00 24.04 C ATOM 807 CD1 PHE A 56 -5.270 0.672 3.791 1.00 54.14 C ATOM 808 CD2 PHE A 56 -3.136 -0.366 3.332 1.00 64.12 C ATOM 809 CE1 PHE A 56 -5.523 -0.311 4.763 1.00 11.43 C ATOM 810 CE2 PHE A 56 -3.395 -1.371 4.278 1.00 73.03 C ATOM 811 CZ PHE A 56 -4.601 -1.345 4.991 1.00 54.15 C ATOM 0 H PHE A 56 -5.765 2.754 0.914 1.00 41.51 H new ATOM 0 HA PHE A 56 -4.335 3.204 3.269 1.00 32.40 H new ATOM 0 HB2 PHE A 56 -4.343 1.304 1.045 1.00 33.10 H new ATOM 0 HB3 PHE A 56 -2.733 1.573 1.684 1.00 33.10 H new ATOM 0 HD1 PHE A 56 -5.995 1.452 3.612 1.00 54.14 H new ATOM 0 HD2 PHE A 56 -2.192 -0.368 2.807 1.00 64.12 H new ATOM 0 HE1 PHE A 56 -6.435 -0.271 5.340 1.00 11.43 H new ATOM 0 HE2 PHE A 56 -2.673 -2.155 4.454 1.00 73.03 H new ATOM 0 HZ PHE A 56 -4.820 -2.117 5.713 1.00 54.15 H new ATOM 820 N VAL A 57 -2.273 4.472 2.834 1.00 24.03 N ATOM 821 CA VAL A 57 -1.024 5.196 2.744 1.00 43.54 C ATOM 822 C VAL A 57 -0.129 4.621 3.831 1.00 22.34 C ATOM 823 O VAL A 57 -0.390 4.802 5.019 1.00 74.25 O ATOM 824 CB VAL A 57 -1.251 6.719 2.824 1.00 61.33 C ATOM 825 CG1 VAL A 57 -2.225 7.135 3.925 1.00 64.22 C ATOM 826 CG2 VAL A 57 0.062 7.493 3.029 1.00 40.13 C ATOM 0 H VAL A 57 -2.569 4.332 3.800 1.00 24.03 H new ATOM 0 HA VAL A 57 -0.533 5.069 1.779 1.00 43.54 H new ATOM 0 HB VAL A 57 -1.688 6.974 1.859 1.00 61.33 H new ATOM 0 HG11 VAL A 57 -2.336 8.219 3.922 1.00 64.22 H new ATOM 0 HG12 VAL A 57 -3.195 6.671 3.747 1.00 64.22 H new ATOM 0 HG13 VAL A 57 -1.840 6.812 4.892 1.00 64.22 H new ATOM 0 HG21 VAL A 57 -0.149 8.561 3.079 1.00 40.13 H new ATOM 0 HG22 VAL A 57 0.532 7.172 3.959 1.00 40.13 H new ATOM 0 HG23 VAL A 57 0.735 7.295 2.195 1.00 40.13 H new ATOM 836 N TYR A 58 0.879 3.861 3.422 1.00 42.12 N ATOM 837 CA TYR A 58 1.980 3.466 4.290 1.00 1.23 C ATOM 838 C TYR A 58 3.084 4.494 4.104 1.00 51.54 C ATOM 839 O TYR A 58 3.518 4.723 2.970 1.00 71.24 O ATOM 840 CB TYR A 58 2.478 2.054 3.965 1.00 3.11 C ATOM 841 CG TYR A 58 3.465 1.469 4.974 1.00 11.43 C ATOM 842 CD1 TYR A 58 3.074 1.268 6.313 1.00 15.50 C ATOM 843 CD2 TYR A 58 4.753 1.060 4.578 1.00 41.22 C ATOM 844 CE1 TYR A 58 3.897 0.587 7.222 1.00 71.45 C ATOM 845 CE2 TYR A 58 5.573 0.347 5.475 1.00 40.55 C ATOM 846 CZ TYR A 58 5.135 0.073 6.788 1.00 75.31 C ATOM 847 OH TYR A 58 5.888 -0.709 7.611 1.00 42.55 O ATOM 0 H TYR A 58 0.956 3.499 2.472 1.00 42.12 H new ATOM 0 HA TYR A 58 1.650 3.437 5.328 1.00 1.23 H new ATOM 0 HB2 TYR A 58 1.617 1.389 3.894 1.00 3.11 H new ATOM 0 HB3 TYR A 58 2.951 2.069 2.983 1.00 3.11 H new ATOM 0 HD1 TYR A 58 2.119 1.647 6.647 1.00 15.50 H new ATOM 0 HD2 TYR A 58 5.112 1.293 3.587 1.00 41.22 H new ATOM 0 HE1 TYR A 58 3.584 0.458 8.247 1.00 71.45 H new ATOM 0 HE2 TYR A 58 6.547 0.007 5.154 1.00 40.55 H new ATOM 0 HH TYR A 58 6.709 -0.976 7.148 1.00 42.55 H new ATOM 856 N GLU A 59 3.514 5.152 5.174 1.00 71.44 N ATOM 857 CA GLU A 59 4.594 6.119 5.167 1.00 73.14 C ATOM 858 C GLU A 59 5.674 5.633 6.125 1.00 62.11 C ATOM 859 O GLU A 59 5.503 5.660 7.339 1.00 34.40 O ATOM 860 CB GLU A 59 4.079 7.546 5.408 1.00 0.22 C ATOM 861 CG GLU A 59 3.485 7.900 6.778 1.00 51.22 C ATOM 862 CD GLU A 59 3.388 9.418 6.880 1.00 73.03 C ATOM 863 OE1 GLU A 59 4.439 10.051 7.136 1.00 55.22 O ATOM 864 OE2 GLU A 59 2.289 9.968 6.617 1.00 75.33 O ATOM 0 H GLU A 59 3.104 5.019 6.099 1.00 71.44 H new ATOM 0 HA GLU A 59 5.056 6.190 4.182 1.00 73.14 H new ATOM 0 HB2 GLU A 59 4.906 8.231 5.221 1.00 0.22 H new ATOM 0 HB3 GLU A 59 3.318 7.753 4.656 1.00 0.22 H new ATOM 0 HG2 GLU A 59 2.500 7.448 6.893 1.00 51.22 H new ATOM 0 HG3 GLU A 59 4.112 7.505 7.577 1.00 51.22 H new ATOM 869 N ASN A 60 6.760 5.112 5.553 1.00 60.21 N ATOM 870 CA ASN A 60 7.921 4.516 6.203 1.00 61.15 C ATOM 871 C ASN A 60 7.618 3.312 7.089 1.00 24.14 C ATOM 872 O ASN A 60 8.097 2.216 6.785 1.00 55.11 O ATOM 873 CB ASN A 60 8.771 5.568 6.933 1.00 40.55 C ATOM 874 CG ASN A 60 10.150 5.000 7.243 1.00 54.24 C ATOM 875 OD1 ASN A 60 10.629 4.997 8.370 1.00 0.54 O ATOM 876 ND2 ASN A 60 10.842 4.484 6.253 1.00 22.40 N ATOM 0 H ASN A 60 6.855 5.096 4.538 1.00 60.21 H new ATOM 0 HA ASN A 60 8.514 4.108 5.384 1.00 61.15 H new ATOM 0 HB2 ASN A 60 8.867 6.462 6.316 1.00 40.55 H new ATOM 0 HB3 ASN A 60 8.277 5.870 7.857 1.00 40.55 H new ATOM 0 HD21 ASN A 60 11.765 4.088 6.428 1.00 22.40 H new ATOM 0 HD22 ASN A 60 10.456 4.479 5.309 1.00 22.40 H new ATOM 882 N GLU A 61 6.864 3.516 8.165 1.00 34.33 N ATOM 883 CA GLU A 61 6.398 2.508 9.108 1.00 63.25 C ATOM 884 C GLU A 61 4.962 2.746 9.615 1.00 3.51 C ATOM 885 O GLU A 61 4.432 1.888 10.326 1.00 55.53 O ATOM 886 CB GLU A 61 7.335 2.431 10.315 1.00 12.24 C ATOM 887 CG GLU A 61 8.827 2.322 9.976 1.00 44.32 C ATOM 888 CD GLU A 61 9.588 1.819 11.196 1.00 40.25 C ATOM 889 OE1 GLU A 61 9.605 0.583 11.409 1.00 54.33 O ATOM 890 OE2 GLU A 61 10.110 2.678 11.945 1.00 22.11 O ATOM 0 H GLU A 61 6.542 4.451 8.416 1.00 34.33 H new ATOM 0 HA GLU A 61 6.397 1.570 8.553 1.00 63.25 H new ATOM 0 HB2 GLU A 61 7.182 3.317 10.931 1.00 12.24 H new ATOM 0 HB3 GLU A 61 7.052 1.570 10.920 1.00 12.24 H new ATOM 0 HG2 GLU A 61 8.972 1.641 9.137 1.00 44.32 H new ATOM 0 HG3 GLU A 61 9.213 3.294 9.668 1.00 44.32 H new ATOM 895 N ASP A 62 4.323 3.879 9.316 1.00 51.25 N ATOM 896 CA ASP A 62 2.971 4.218 9.782 1.00 74.12 C ATOM 897 C ASP A 62 1.981 3.904 8.661 1.00 3.22 C ATOM 898 O ASP A 62 2.322 4.089 7.493 1.00 42.21 O ATOM 899 CB ASP A 62 2.888 5.709 10.150 1.00 62.15 C ATOM 900 CG ASP A 62 3.315 5.976 11.592 1.00 52.41 C ATOM 901 OD1 ASP A 62 4.537 6.073 11.871 1.00 40.24 O ATOM 902 OD2 ASP A 62 2.437 6.101 12.468 1.00 63.05 O ATOM 0 H ASP A 62 4.738 4.604 8.731 1.00 51.25 H new ATOM 0 HA ASP A 62 2.732 3.634 10.671 1.00 74.12 H new ATOM 0 HB2 ASP A 62 3.521 6.283 9.474 1.00 62.15 H new ATOM 0 HB3 ASP A 62 1.866 6.060 10.005 1.00 62.15 H new ATOM 906 N LEU A 63 0.762 3.442 8.976 1.00 43.44 N ATOM 907 CA LEU A 63 -0.279 3.152 7.985 1.00 55.41 C ATOM 908 C LEU A 63 -1.568 3.871 8.376 1.00 12.21 C ATOM 909 O LEU A 63 -2.065 3.679 9.490 1.00 71.05 O ATOM 910 CB LEU A 63 -0.508 1.632 7.824 1.00 2.41 C ATOM 911 CG LEU A 63 -0.689 1.187 6.356 1.00 64.24 C ATOM 912 CD1 LEU A 63 -0.799 -0.340 6.272 1.00 15.34 C ATOM 913 CD2 LEU A 63 -1.873 1.802 5.610 1.00 53.53 C ATOM 0 H LEU A 63 0.471 3.258 9.936 1.00 43.44 H new ATOM 0 HA LEU A 63 0.052 3.521 7.014 1.00 55.41 H new ATOM 0 HB2 LEU A 63 0.338 1.098 8.255 1.00 2.41 H new ATOM 0 HB3 LEU A 63 -1.391 1.343 8.394 1.00 2.41 H new ATOM 0 HG LEU A 63 0.205 1.561 5.856 1.00 64.24 H new ATOM 0 HD11 LEU A 63 -0.926 -0.639 5.232 1.00 15.34 H new ATOM 0 HD12 LEU A 63 0.109 -0.793 6.671 1.00 15.34 H new ATOM 0 HD13 LEU A 63 -1.658 -0.675 6.853 1.00 15.34 H new ATOM 0 HD21 LEU A 63 -1.900 1.417 4.591 1.00 53.53 H new ATOM 0 HD22 LEU A 63 -2.800 1.542 6.121 1.00 53.53 H new ATOM 0 HD23 LEU A 63 -1.764 2.886 5.586 1.00 53.53 H new ATOM 924 N VAL A 64 -2.116 4.677 7.465 1.00 75.11 N ATOM 925 CA VAL A 64 -3.347 5.440 7.655 1.00 13.24 C ATOM 926 C VAL A 64 -4.302 5.135 6.487 1.00 52.15 C ATOM 927 O VAL A 64 -3.854 4.825 5.377 1.00 0.30 O ATOM 928 CB VAL A 64 -2.998 6.945 7.798 1.00 63.45 C ATOM 929 CG1 VAL A 64 -4.209 7.799 8.197 1.00 62.24 C ATOM 930 CG2 VAL A 64 -1.885 7.195 8.835 1.00 51.45 C ATOM 0 H VAL A 64 -1.700 4.820 6.545 1.00 75.11 H new ATOM 0 HA VAL A 64 -3.862 5.153 8.572 1.00 13.24 H new ATOM 0 HB VAL A 64 -2.654 7.241 6.807 1.00 63.45 H new ATOM 0 HG11 VAL A 64 -3.906 8.843 8.282 1.00 62.24 H new ATOM 0 HG12 VAL A 64 -4.985 7.707 7.437 1.00 62.24 H new ATOM 0 HG13 VAL A 64 -4.597 7.454 9.155 1.00 62.24 H new ATOM 0 HG21 VAL A 64 -1.679 8.263 8.897 1.00 51.45 H new ATOM 0 HG22 VAL A 64 -2.208 6.831 9.810 1.00 51.45 H new ATOM 0 HG23 VAL A 64 -0.980 6.668 8.532 1.00 51.45 H new ATOM 940 N TYR A 65 -5.616 5.239 6.707 1.00 32.31 N ATOM 941 CA TYR A 65 -6.673 5.185 5.697 1.00 31.32 C ATOM 942 C TYR A 65 -7.929 5.902 6.207 1.00 32.30 C ATOM 943 O TYR A 65 -7.997 6.265 7.380 1.00 2.34 O ATOM 944 CB TYR A 65 -6.991 3.729 5.337 1.00 44.45 C ATOM 945 CG TYR A 65 -7.479 2.858 6.479 1.00 53.13 C ATOM 946 CD1 TYR A 65 -8.829 2.890 6.883 1.00 34.30 C ATOM 947 CD2 TYR A 65 -6.593 1.954 7.088 1.00 52.12 C ATOM 948 CE1 TYR A 65 -9.296 1.992 7.859 1.00 14.31 C ATOM 949 CE2 TYR A 65 -7.051 1.056 8.062 1.00 40.21 C ATOM 950 CZ TYR A 65 -8.406 1.064 8.445 1.00 13.12 C ATOM 951 OH TYR A 65 -8.837 0.174 9.379 1.00 15.20 O ATOM 0 H TYR A 65 -5.990 5.370 7.647 1.00 32.31 H new ATOM 0 HA TYR A 65 -6.326 5.693 4.797 1.00 31.32 H new ATOM 0 HB2 TYR A 65 -7.748 3.725 4.553 1.00 44.45 H new ATOM 0 HB3 TYR A 65 -6.094 3.274 4.916 1.00 44.45 H new ATOM 0 HD1 TYR A 65 -9.506 3.606 6.442 1.00 34.30 H new ATOM 0 HD2 TYR A 65 -5.551 1.951 6.804 1.00 52.12 H new ATOM 0 HE1 TYR A 65 -10.333 2.011 8.160 1.00 14.31 H new ATOM 0 HE2 TYR A 65 -6.365 0.358 8.519 1.00 40.21 H new ATOM 0 HH TYR A 65 -8.086 -0.385 9.669 1.00 15.20 H new ATOM 960 N GLU A 66 -8.959 6.054 5.365 1.00 23.32 N ATOM 961 CA GLU A 66 -10.313 6.363 5.830 1.00 55.34 C ATOM 962 C GLU A 66 -11.334 5.707 4.907 1.00 54.21 C ATOM 963 O GLU A 66 -11.792 4.618 5.236 1.00 24.13 O ATOM 964 CB GLU A 66 -10.537 7.876 6.041 1.00 4.30 C ATOM 965 CG GLU A 66 -10.673 8.293 7.516 1.00 75.33 C ATOM 966 CD GLU A 66 -11.953 7.788 8.196 1.00 3.10 C ATOM 967 OE1 GLU A 66 -12.095 6.568 8.458 1.00 51.13 O ATOM 968 OE2 GLU A 66 -12.838 8.615 8.511 1.00 13.32 O ATOM 0 H GLU A 66 -8.877 5.967 4.352 1.00 23.32 H new ATOM 0 HA GLU A 66 -10.452 5.935 6.823 1.00 55.34 H new ATOM 0 HB2 GLU A 66 -9.704 8.421 5.596 1.00 4.30 H new ATOM 0 HB3 GLU A 66 -11.437 8.177 5.505 1.00 4.30 H new ATOM 0 HG2 GLU A 66 -9.810 7.921 8.068 1.00 75.33 H new ATOM 0 HG3 GLU A 66 -10.646 9.381 7.579 1.00 75.33 H new ATOM 973 N GLU A 67 -11.641 6.315 3.765 1.00 74.25 N ATOM 974 CA GLU A 67 -12.439 5.835 2.651 1.00 22.42 C ATOM 975 C GLU A 67 -12.075 6.750 1.467 1.00 1.12 C ATOM 976 O GLU A 67 -11.575 7.860 1.681 1.00 20.20 O ATOM 977 CB GLU A 67 -13.935 5.882 3.016 1.00 71.11 C ATOM 978 CG GLU A 67 -14.820 5.534 1.817 1.00 22.22 C ATOM 979 CD GLU A 67 -16.215 5.060 2.199 1.00 75.31 C ATOM 980 OE1 GLU A 67 -17.024 5.891 2.673 1.00 63.15 O ATOM 981 OE2 GLU A 67 -16.537 3.868 1.953 1.00 21.02 O ATOM 0 H GLU A 67 -11.297 7.258 3.582 1.00 74.25 H new ATOM 0 HA GLU A 67 -12.237 4.795 2.395 1.00 22.42 H new ATOM 0 HB2 GLU A 67 -14.133 5.184 3.830 1.00 71.11 H new ATOM 0 HB3 GLU A 67 -14.190 6.877 3.380 1.00 71.11 H new ATOM 0 HG2 GLU A 67 -14.908 6.411 1.175 1.00 22.22 H new ATOM 0 HG3 GLU A 67 -14.331 4.757 1.230 1.00 22.22 H new ATOM 986 N GLU A 68 -12.272 6.295 0.231 1.00 71.15 N ATOM 987 CA GLU A 68 -12.026 7.059 -0.981 1.00 2.23 C ATOM 988 C GLU A 68 -13.364 7.564 -1.506 1.00 75.35 C ATOM 989 O GLU A 68 -14.222 6.772 -1.907 1.00 61.14 O ATOM 990 CB GLU A 68 -11.305 6.195 -2.027 1.00 15.12 C ATOM 991 CG GLU A 68 -10.353 6.991 -2.938 1.00 2.14 C ATOM 992 CD GLU A 68 -10.885 7.319 -4.330 1.00 22.04 C ATOM 993 OE1 GLU A 68 -12.078 7.667 -4.497 1.00 20.22 O ATOM 994 OE2 GLU A 68 -10.083 7.242 -5.284 1.00 53.22 O ATOM 0 H GLU A 68 -12.618 5.354 0.044 1.00 71.15 H new ATOM 0 HA GLU A 68 -11.377 7.908 -0.766 1.00 2.23 H new ATOM 0 HB2 GLU A 68 -10.738 5.418 -1.515 1.00 15.12 H new ATOM 0 HB3 GLU A 68 -12.049 5.692 -2.645 1.00 15.12 H new ATOM 0 HG2 GLU A 68 -10.098 7.925 -2.438 1.00 2.14 H new ATOM 0 HG3 GLU A 68 -9.428 6.425 -3.047 1.00 2.14 H new ATOM 999 N VAL A 69 -13.537 8.881 -1.522 1.00 44.12 N ATOM 1000 CA VAL A 69 -14.662 9.562 -2.140 1.00 35.12 C ATOM 1001 C VAL A 69 -14.068 10.688 -2.981 1.00 22.02 C ATOM 1002 O VAL A 69 -13.626 11.717 -2.451 1.00 54.43 O ATOM 1003 CB VAL A 69 -15.692 10.035 -1.092 1.00 41.23 C ATOM 1004 CG1 VAL A 69 -16.944 10.561 -1.806 1.00 60.22 C ATOM 1005 CG2 VAL A 69 -16.103 8.901 -0.141 1.00 11.21 C ATOM 0 H VAL A 69 -12.873 9.523 -1.089 1.00 44.12 H new ATOM 0 HA VAL A 69 -15.238 8.894 -2.781 1.00 35.12 H new ATOM 0 HB VAL A 69 -15.224 10.823 -0.502 1.00 41.23 H new ATOM 0 HG11 VAL A 69 -17.671 10.895 -1.066 1.00 60.22 H new ATOM 0 HG12 VAL A 69 -16.671 11.397 -2.450 1.00 60.22 H new ATOM 0 HG13 VAL A 69 -17.380 9.765 -2.410 1.00 60.22 H new ATOM 0 HG21 VAL A 69 -16.829 9.276 0.581 1.00 11.21 H new ATOM 0 HG22 VAL A 69 -16.549 8.088 -0.715 1.00 11.21 H new ATOM 0 HG23 VAL A 69 -15.224 8.532 0.387 1.00 11.21 H new ATOM 1015 N LEU A 70 -13.933 10.420 -4.278 1.00 4.33 N ATOM 1016 CA LEU A 70 -13.599 11.403 -5.296 1.00 71.12 C ATOM 1017 C LEU A 70 -14.674 12.466 -5.379 1.00 15.23 C ATOM 1018 O LEU A 70 -14.311 13.606 -5.746 1.00 55.32 O ATOM 1019 CB LEU A 70 -13.316 10.718 -6.649 1.00 1.54 C ATOM 1020 CG LEU A 70 -14.464 10.085 -7.470 1.00 35.12 C ATOM 1021 CD1 LEU A 70 -15.346 9.117 -6.672 1.00 4.33 C ATOM 1022 CD2 LEU A 70 -15.337 11.108 -8.201 1.00 14.23 C ATOM 0 H LEU A 70 -14.058 9.481 -4.657 1.00 4.33 H new ATOM 0 HA LEU A 70 -12.678 11.912 -5.014 1.00 71.12 H new ATOM 0 HB2 LEU A 70 -12.835 11.458 -7.288 1.00 1.54 H new ATOM 0 HB3 LEU A 70 -12.584 9.932 -6.464 1.00 1.54 H new ATOM 0 HG LEU A 70 -13.935 9.500 -8.222 1.00 35.12 H new ATOM 0 HD11 LEU A 70 -16.126 8.717 -7.320 1.00 4.33 H new ATOM 0 HD12 LEU A 70 -14.736 8.298 -6.291 1.00 4.33 H new ATOM 0 HD13 LEU A 70 -15.804 9.647 -5.837 1.00 4.33 H new ATOM 0 HD21 LEU A 70 -16.120 10.589 -8.755 1.00 14.23 H new ATOM 0 HD22 LEU A 70 -15.792 11.783 -7.476 1.00 14.23 H new ATOM 0 HD23 LEU A 70 -14.722 11.682 -8.894 1.00 14.23 H new TER 1033 LEU A 70